(3S)-N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-amine

C17H26N6O — CID 97004839

IUPAC(3S)-N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-amine
SMILESCc1cc(CN2CC[C@H](N(C)Cc3nnc(C4CC4)n3C)C2)no1
InChIInChI=1S/C17H26N6O/c1-12-8-14(20-24-12)9-23-7-6-15(10-23)21(2)11-16-18-19-17(22(16)3)13-4-5-13/h8,13,15H,4-7,9-11H2,1-3H3/t15-/m0/s1
InChIKeyBKFJMGCTYLYDDS-HNNXBMFYSA-N
MW330.44 g/mol
LogP1.70
Rot. Bonds6

About (3S)-N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-amine

(3S)-N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-amine (PubChem CID 97004839) has the molecular formula C17H26N6O and a molecular weight of 330.44 g/mol. Its IUPAC name is (3S)-N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-amine
PubChem CID97004839
Molecular FormulaC17H26N6O
Molecular Weight330.44 g/mol
Exact Mass330.22
IUPAC Name(3S)-N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-amine
SMILESCc1cc(CN2CC[C@H](N(C)Cc3nnc(C4CC4)n3C)C2)no1
InChIInChI=1S/C17H26N6O/c1-12-8-14(20-24-12)9-23-7-6-15(10-23)21(2)11-16-18-19-17(22(16)3)13-4-5-13/h8,13,15H,4-7,9-11H2,1-3H3/t15-/m0/s1
InChIKeyBKFJMGCTYLYDDS-HNNXBMFYSA-N
XLogP1.70
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (3S)-N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-amine with MolForge

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Related Compounds

(3S)-N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine
CID 97008296
(3S)-N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-(oxan-4-ylmethyl)pyrrolidin-3-amine
CID 97009607
1-[3-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]-2-methylpropan-2-ol
CID 71928275
N-cyclopropyl-2-[(3R)-3-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]-N-methylacetamide
CID 97009594
N-cyclopropyl-2-[(3S)-3-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]-N-methylacetamide
CID 97009595
(3S)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-3-amine
CID 95978626
(2S)-1-[(3S)-3-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]-3-methoxypropan-2-ol
CID 97009601
N-methyl-N-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]-1-phenylmethanesulfonamide
CID 154882868
N-(cyclopropylmethyl)-2-[(3S)-3-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]acetamide
CID 97009597
N,N-dimethyl-3-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 126912143
1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-ol
CID 62917538
(3S)-3-[(3S)-3-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]oxolan-2-one
CID 129490671

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of (3S)-N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-amine (CID 97004839) is (3S)-N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for (3S)-N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for (3S)-N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-amine is Cc1cc(CN2CC[C@H](N(C)Cc3nnc(C4CC4)n3C)C2)no1.
What is the InChIKey of (3S)-N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-amine?
The InChIKey is BKFJMGCTYLYDDS-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H26N6O/c1-12-8-14(20-24-12)9-23-7-6-15(10-23)21(2)11-16-18-19-17(22(16)3)13-4-5-13/h8,13,15H,4-7,9-11H2,1-3H3/t15-/m0/s1.
What are the key properties of (3S)-N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-amine?
(3S)-N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-amine has a molecular weight of 330.44 g/mol, XLogP of 1.70, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 97004839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).