(2S)-N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropanamide

C11H20N6O — CID 125438071

IUPAC(2S)-N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropanamide
SMILESC[C@@H](CN1CCCC1)C(=O)NCc1nc(N)n[nH]1
InChIInChI=1S/C11H20N6O/c1-8(7-17-4-2-3-5-17)10(18)13-6-9-14-11(12)16-15-9/h8H,2-7H2,1H3,(H,13,18)(H3,12,14,15,16)/t8-/m0/s1
InChIKeyRDIFXBNADMAITP-QMMMGPOBSA-N
MW252.32 g/mol
LogP-0.26
Rot. Bonds5

About (2S)-N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropanamide

(2S)-N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropanamide (PubChem CID 125438071) has the molecular formula C11H20N6O and a molecular weight of 252.32 g/mol. Its IUPAC name is (2S)-N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropanamide.

Molecular Properties

Compound Name(2S)-N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropanamide
PubChem CID125438071
Molecular FormulaC11H20N6O
Molecular Weight252.32 g/mol
Exact Mass252.17
IUPAC Name(2S)-N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropanamide
SMILESC[C@@H](CN1CCCC1)C(=O)NCc1nc(N)n[nH]1
InChIInChI=1S/C11H20N6O/c1-8(7-17-4-2-3-5-17)10(18)13-6-9-14-11(12)16-15-9/h8H,2-7H2,1H3,(H,13,18)(H3,12,14,15,16)/t8-/m0/s1
InChIKeyRDIFXBNADMAITP-QMMMGPOBSA-N
XLogP-0.26
TPSA99.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S)-N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropanamide
CID 125438070
5-[[[(2S)-1-(azepan-1-yl)propan-2-yl]amino]methyl]-1H-1,2,4-triazol-3-amine
CID 125443062
(2S)-N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-ethoxypropanamide
CID 126428098
N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-propan-2-ylsulfanylacetamide
CID 122567549
3-amino-N-(2-methyl-3-piperidin-1-ylpropyl)-1H-1,2,4-triazole-5-carboxamide
CID 62793002
N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-(3-methylpiperidin-1-yl)acetamide
CID 122564730
(2R)-N-[(2-amino-3-pyridinyl)methyl]-2-methyl-3-piperidin-1-ylpropanamide
CID 125442236
3-(azetidin-1-yl)-2-methylpropanehydrazide
CID 130548534
(2R)-N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropanamide
CID 126450999
(2S)-2-(azepan-1-yl)-N-[(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)methyl]propanamide
CID 97218734
2-(3-amino-1H-1,2,4-triazol-5-yl)-N-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]acetamide
CID 162637259
1-(3-amino-1H-1,2,4-triazol-5-yl)propan-2-ol
CID 54086471

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropanamide?
The IUPAC name of (2S)-N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropanamide (CID 125438071) is (2S)-N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropanamide.
What is the SMILES notation for (2S)-N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropanamide?
The canonical SMILES for (2S)-N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropanamide is C[C@@H](CN1CCCC1)C(=O)NCc1nc(N)n[nH]1.
What is the InChIKey of (2S)-N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropanamide?
The InChIKey is RDIFXBNADMAITP-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H20N6O/c1-8(7-17-4-2-3-5-17)10(18)13-6-9-14-11(12)16-15-9/h8H,2-7H2,1H3,(H,13,18)(H3,12,14,15,16)/t8-/m0/s1.
What are the key properties of (2S)-N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropanamide?
(2S)-N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropanamide has a molecular weight of 252.32 g/mol, XLogP of -0.26, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropanamide is sourced from PubChem (CID 125438071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).