3-(3-amino-1H-1,2,4-triazol-5-yl)-N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)propanamide

C16H26N6O2 — CID 56914888

IUPAC3-(3-amino-1H-1,2,4-triazol-5-yl)-N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)propanamide
SMILESNc1n[nH]c(CCC(=O)NC2CC(=O)N(C3CCCCCC3)C2)n1
InChIInChI=1S/C16H26N6O2/c17-16-19-13(20-21-16)7-8-14(23)18-11-9-15(24)22(10-11)12-5-3-1-2-4-6-12/h11-12H,1-10H2,(H,18,23)(H3,17,19,20,21)
InChIKeyOICPEAOOVFCGML-UHFFFAOYSA-N
MW334.42 g/mol
LogP0.76
Rot. Bonds5

About 3-(3-amino-1H-1,2,4-triazol-5-yl)-N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)propanamide

3-(3-amino-1H-1,2,4-triazol-5-yl)-N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)propanamide (PubChem CID 56914888) has the molecular formula C16H26N6O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 3-(3-amino-1H-1,2,4-triazol-5-yl)-N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)propanamide.

Molecular Properties

Compound Name3-(3-amino-1H-1,2,4-triazol-5-yl)-N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)propanamide
PubChem CID56914888
Molecular FormulaC16H26N6O2
Molecular Weight334.42 g/mol
Exact Mass334.21
IUPAC Name3-(3-amino-1H-1,2,4-triazol-5-yl)-N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)propanamide
SMILESNc1n[nH]c(CCC(=O)NC2CC(=O)N(C3CCCCCC3)C2)n1
InChIInChI=1S/C16H26N6O2/c17-16-19-13(20-21-16)7-8-14(23)18-11-9-15(24)22(10-11)12-5-3-1-2-4-6-12/h11-12H,1-10H2,(H,18,23)(H3,17,19,20,21)
InChIKeyOICPEAOOVFCGML-UHFFFAOYSA-N
XLogP0.76
TPSA117.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-2-methoxyacetamide
CID 26410011
3-amino-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)propanamide;hydrochloride
CID 119327016
N-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-3-(3-amino-1H-1,2,4-triazol-5-yl)propanamide
CID 70736942
N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-2-piperidin-1-ylacetamide
CID 45251324
3-(2-aminophenyl)-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)propanamide
CID 120610888
N-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-3-(5-methylpyrazol-1-yl)propanamide
CID 42474957
N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2-methoxyacetamide
CID 95985167
N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-thiophen-2-ylpropanamide
CID 110719746
N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-4-phenylbutanamide
CID 95985193
ethyl 3-[(1-cycloheptyl-5-oxopyrrolidin-3-yl)carbamoylamino]propanoate
CID 45246068
N-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-2-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide
CID 128642734
2-(cyclopropylmethylamino)-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)acetamide
CID 119789619

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-1H-1,2,4-triazol-5-yl)-N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)propanamide?
The IUPAC name of 3-(3-amino-1H-1,2,4-triazol-5-yl)-N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)propanamide (CID 56914888) is 3-(3-amino-1H-1,2,4-triazol-5-yl)-N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)propanamide.
What is the SMILES notation for 3-(3-amino-1H-1,2,4-triazol-5-yl)-N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)propanamide?
The canonical SMILES for 3-(3-amino-1H-1,2,4-triazol-5-yl)-N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)propanamide is Nc1n[nH]c(CCC(=O)NC2CC(=O)N(C3CCCCCC3)C2)n1.
What is the InChIKey of 3-(3-amino-1H-1,2,4-triazol-5-yl)-N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)propanamide?
The InChIKey is OICPEAOOVFCGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6O2/c17-16-19-13(20-21-16)7-8-14(23)18-11-9-15(24)22(10-11)12-5-3-1-2-4-6-12/h11-12H,1-10H2,(H,18,23)(H3,17,19,20,21).
What are the key properties of 3-(3-amino-1H-1,2,4-triazol-5-yl)-N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)propanamide?
3-(3-amino-1H-1,2,4-triazol-5-yl)-N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)propanamide has a molecular weight of 334.42 g/mol, XLogP of 0.76, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-1H-1,2,4-triazol-5-yl)-N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)propanamide is sourced from PubChem (CID 56914888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).