(3R)-N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(1R)-1-pyridin-3-ylethyl]pyrrolidin-3-amine

C19H28N6 — CID 98785091

IUPAC(3R)-N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(1R)-1-pyridin-3-ylethyl]pyrrolidin-3-amine
SMILESC[C@H](c1cccnc1)N1CC[C@@H](N(C)Cc2nnc(C3CC3)n2C)C1
InChIInChI=1S/C19H28N6/c1-14(16-5-4-9-20-11-16)25-10-8-17(12-25)23(2)13-18-21-22-19(24(18)3)15-6-7-15/h4-5,9,11,14-15,17H,6-8,10,12-13H2,1-3H3/t14-,17-/m1/s1
InChIKeyZDNAUWOUISCIIW-RHSMWYFYSA-N
MW340.48 g/mol
LogP2.35
Rot. Bonds6

About (3R)-N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(1R)-1-pyridin-3-ylethyl]pyrrolidin-3-amine

(3R)-N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(1R)-1-pyridin-3-ylethyl]pyrrolidin-3-amine (PubChem CID 98785091) has the molecular formula C19H28N6 and a molecular weight of 340.48 g/mol. Its IUPAC name is (3R)-N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(1R)-1-pyridin-3-ylethyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(1R)-1-pyridin-3-ylethyl]pyrrolidin-3-amine
PubChem CID98785091
Molecular FormulaC19H28N6
Molecular Weight340.48 g/mol
Exact Mass340.24
IUPAC Name(3R)-N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(1R)-1-pyridin-3-ylethyl]pyrrolidin-3-amine
SMILESC[C@H](c1cccnc1)N1CC[C@@H](N(C)Cc2nnc(C3CC3)n2C)C1
InChIInChI=1S/C19H28N6/c1-14(16-5-4-9-20-11-16)25-10-8-17(12-25)23(2)13-18-21-22-19(24(18)3)15-6-7-15/h4-5,9,11,14-15,17H,6-8,10,12-13H2,1-3H3/t14-,17-/m1/s1
InChIKeyZDNAUWOUISCIIW-RHSMWYFYSA-N
XLogP2.35
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.48
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(1R)-1-pyridin-3-ylethyl]pyrrolidin-3-amine?
The IUPAC name of (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) is (3R)-N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(1R)-1-pyridin-3-ylethyl]pyrrolidin-3-amine.
What is the SMILES notation for (3R)-N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(1R)-1-pyridin-3-ylethyl]pyrrolidin-3-amine?
The canonical SMILES for (3R)-N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(1R)-1-pyridin-3-ylethyl]pyrrolidin-3-amine is C[C@H](c1cccnc1)N1CC[C@@H](N(C)Cc2nnc(C3CC3)n2C)C1.
What is the InChIKey of (3R)-N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(1R)-1-pyridin-3-ylethyl]pyrrolidin-3-amine?
The InChIKey is ZDNAUWOUISCIIW-RHSMWYFYSA-N. The full InChI is InChI=1S/C19H28N6/c1-14(16-5-4-9-20-11-16)25-10-8-17(12-25)23(2)13-18-21-22-19(24(18)3)15-6-7-15/h4-5,9,11,14-15,17H,6-8,10,12-13H2,1-3H3/t14-,17-/m1/s1.
What are the key properties of (3R)-N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(1R)-1-pyridin-3-ylethyl]pyrrolidin-3-amine?
(3R)-N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(1R)-1-pyridin-3-ylethyl]pyrrolidin-3-amine has a molecular weight of 340.48 g/mol, XLogP of 2.35, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(1R)-1-pyridin-3-ylethyl]pyrrolidin-3-amine is sourced from PubChem (CID 98785091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).