1-[3-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]-2-methylpropan-2-ol

C16H29N5O — CID 71928275

IUPAC1-[3-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]-2-methylpropan-2-ol
SMILESCN(Cc1nnc(C2CC2)n1C)C1CCN(CC(C)(C)O)C1
InChIInChI=1S/C16H29N5O/c1-16(2,22)11-21-8-7-13(9-21)19(3)10-14-17-18-15(20(14)4)12-5-6-12/h12-13,22H,5-11H2,1-4H3
InChIKeyQRINROYLFLZYHN-UHFFFAOYSA-N
MW307.44 g/mol
LogP0.97
Rot. Bonds6

About 1-[3-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]-2-methylpropan-2-ol

1-[3-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]-2-methylpropan-2-ol (PubChem CID 71928275) has the molecular formula C16H29N5O and a molecular weight of 307.44 g/mol. Its IUPAC name is 1-[3-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[3-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]-2-methylpropan-2-ol
PubChem CID71928275
Molecular FormulaC16H29N5O
Molecular Weight307.44 g/mol
Exact Mass307.24
IUPAC Name1-[3-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]-2-methylpropan-2-ol
SMILESCN(Cc1nnc(C2CC2)n1C)C1CCN(CC(C)(C)O)C1
InChIInChI=1S/C16H29N5O/c1-16(2,22)11-21-8-7-13(9-21)19(3)10-14-17-18-15(20(14)4)12-5-6-12/h12-13,22H,5-11H2,1-4H3
InChIKeyQRINROYLFLZYHN-UHFFFAOYSA-N
XLogP0.97
TPSA57.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[3-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]-2-methylpropan-2-ol with MolForge

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Related Compounds

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)-N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-(oxan-4-ylmethyl)pyrrolidin-3-amine
CID 97009607
(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-(cyclopropylmethyl)-2-[(3S)-3-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]acetamide
CID 97009597
(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
(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)-3-[(3S)-3-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]oxolan-2-one
CID 129490671
N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]acetamide
CID 97022188
(3R)-N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(1R)-1-pyridin-3-ylethyl]pyrrolidin-3-amine
CID 98785091
2-[4-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]ethanamine
CID 70732012
2-[methyl-[[4-methyl-5-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]amino]ethanol
CID 70783827

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[3-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]-2-methylpropan-2-ol (CID 71928275) is 1-[3-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[3-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[3-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]-2-methylpropan-2-ol is CN(Cc1nnc(C2CC2)n1C)C1CCN(CC(C)(C)O)C1.
What is the InChIKey of 1-[3-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]-2-methylpropan-2-ol?
The InChIKey is QRINROYLFLZYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5O/c1-16(2,22)11-21-8-7-13(9-21)19(3)10-14-17-18-15(20(14)4)12-5-6-12/h12-13,22H,5-11H2,1-4H3.
What are the key properties of 1-[3-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]-2-methylpropan-2-ol?
1-[3-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]-2-methylpropan-2-ol has a molecular weight of 307.44 g/mol, XLogP of 0.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 71928275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).