1-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]-N-cyclopropylpyrrolidine-2-carboxamide

C12H18N6O2 — CID 61105362

IUPAC1-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]-N-cyclopropylpyrrolidine-2-carboxamide
SMILESNc1ncn(CC(=O)N2CCCC2C(=O)NC2CC2)n1
InChIInChI=1S/C12H18N6O2/c13-12-14-7-17(16-12)6-10(19)18-5-1-2-9(18)11(20)15-8-3-4-8/h7-9H,1-6H2,(H2,13,16)(H,15,20)
InChIKeyCCZDVZZFRMISQJ-UHFFFAOYSA-N
MW278.32 g/mol
LogP-0.87
Rot. Bonds4

About 1-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]-N-cyclopropylpyrrolidine-2-carboxamide

1-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]-N-cyclopropylpyrrolidine-2-carboxamide (PubChem CID 61105362) has the molecular formula C12H18N6O2 and a molecular weight of 278.32 g/mol. Its IUPAC name is 1-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]-N-cyclopropylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]-N-cyclopropylpyrrolidine-2-carboxamide
PubChem CID61105362
Molecular FormulaC12H18N6O2
Molecular Weight278.32 g/mol
Exact Mass278.15
IUPAC Name1-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]-N-cyclopropylpyrrolidine-2-carboxamide
SMILESNc1ncn(CC(=O)N2CCCC2C(=O)NC2CC2)n1
InChIInChI=1S/C12H18N6O2/c13-12-14-7-17(16-12)6-10(19)18-5-1-2-9(18)11(20)15-8-3-4-8/h7-9H,1-6H2,(H2,13,16)(H,15,20)
InChIKeyCCZDVZZFRMISQJ-UHFFFAOYSA-N
XLogP-0.87
TPSA106.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]-N-cyclopropylpyrrolidine-2-carboxamide 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

1-[2-(4-aminopyrazol-1-yl)acetyl]-N-cyclopropylpyrrolidine-2-carboxamide
CID 61104989
1-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]piperidine-2-carboxamide
CID 54978369
1-[2-(4-aminopiperidin-1-yl)acetyl]-N-cyclopropylpyrrolidine-2-carboxamide
CID 79323069
1-[2-(5-amino-2-pyridinyl)acetyl]-N-cyclopropylpyrrolidine-2-carboxamide;hydrochloride
CID 120622960
1-(3-aminopropanoyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 60939858
N-cyclopropyl-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 47164597
N-cyclopropyl-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide
CID 60733576
(2S)-1-butanoyl-N-cyclopropylpyrrolidine-2-carboxamide
CID 142833452
4-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 83096780
(2S)-1-[2-(cyclopentylcarbamoylamino)acetyl]-N-cyclopropylpyrrolidine-2-carboxamide
CID 142833402
N-cyclopropyl-1-[2-[(1R,2S)-2-hydroxycyclohexyl]acetyl]pyrrolidine-2-carboxamide
CID 122139792
N-cyclopropyl-1-(2-piperidin-4-ylacetyl)pyrrolidine-2-carboxamide
CID 61029481

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]-N-cyclopropylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]-N-cyclopropylpyrrolidine-2-carboxamide (CID 61105362) is 1-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]-N-cyclopropylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]-N-cyclopropylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]-N-cyclopropylpyrrolidine-2-carboxamide is Nc1ncn(CC(=O)N2CCCC2C(=O)NC2CC2)n1.
What is the InChIKey of 1-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]-N-cyclopropylpyrrolidine-2-carboxamide?
The InChIKey is CCZDVZZFRMISQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O2/c13-12-14-7-17(16-12)6-10(19)18-5-1-2-9(18)11(20)15-8-3-4-8/h7-9H,1-6H2,(H2,13,16)(H,15,20).
What are the key properties of 1-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]-N-cyclopropylpyrrolidine-2-carboxamide?
1-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]-N-cyclopropylpyrrolidine-2-carboxamide has a molecular weight of 278.32 g/mol, XLogP of -0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]-N-cyclopropylpyrrolidine-2-carboxamide is sourced from PubChem (CID 61105362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).