N-[2-(cyclopropylamino)ethyl]-3-(1,2,4-triazol-1-yl)propanamide

C10H17N5O — CID 62665464

IUPACN-[2-(cyclopropylamino)ethyl]-3-(1,2,4-triazol-1-yl)propanamide
SMILESO=C(CCn1cncn1)NCCNC1CC1
InChIInChI=1S/C10H17N5O/c16-10(3-6-15-8-11-7-14-15)13-5-4-12-9-1-2-9/h7-9,12H,1-6H2,(H,13,16)
InChIKeyXZSLEVAVOOMNSU-UHFFFAOYSA-N
MW223.28 g/mol
LogP-0.46
Rot. Bonds7

About N-[2-(cyclopropylamino)ethyl]-3-(1,2,4-triazol-1-yl)propanamide

N-[2-(cyclopropylamino)ethyl]-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 62665464) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is N-[2-(cyclopropylamino)ethyl]-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-(cyclopropylamino)ethyl]-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID62665464
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC NameN-[2-(cyclopropylamino)ethyl]-3-(1,2,4-triazol-1-yl)propanamide
SMILESO=C(CCn1cncn1)NCCNC1CC1
InChIInChI=1S/C10H17N5O/c16-10(3-6-15-8-11-7-14-15)13-5-4-12-9-1-2-9/h7-9,12H,1-6H2,(H,13,16)
InChIKeyXZSLEVAVOOMNSU-UHFFFAOYSA-N
XLogP-0.46
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-(cyclopropylamino)ethyl]-3-(1,2,4-triazol-1-yl)propanamide 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

N-cyclooctyl-3-(1,2,4-triazol-1-yl)propanamide
CID 31336018
N-[2-(2-methoxyethylamino)ethyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 82994001
N-[3-(2-hydroxyethoxy)propyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 113364762
N-[2-(1,2,4-triazol-1-yl)ethyl]cyclopentanamine
CID 18349129
N-[3-(cyclopropylamino)propyl]-3-pyrazol-1-ylpropanamide
CID 43596290
3-(cyclopropylamino)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 60867982
methyl 6-[3-(1,2,4-triazol-1-yl)propanoylamino]hexanoate
CID 43423421
N-(pyrrolidin-2-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide;hydrochloride
CID 119509840
N-[(2R)-2-hydroxypropyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 83032454
N-(3-hydroxypropyl)-4-(1,2,4-triazol-1-yl)butanamide
CID 110899828
N-(2-amino-2-methylpropyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 81483875
N-[2-(cycloheptylamino)ethyl]-3-(triazol-1-yl)propanamide
CID 81482627

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylamino)ethyl]-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-[2-(cyclopropylamino)ethyl]-3-(1,2,4-triazol-1-yl)propanamide (CID 62665464) is N-[2-(cyclopropylamino)ethyl]-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-[2-(cyclopropylamino)ethyl]-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-[2-(cyclopropylamino)ethyl]-3-(1,2,4-triazol-1-yl)propanamide is O=C(CCn1cncn1)NCCNC1CC1.
What is the InChIKey of N-[2-(cyclopropylamino)ethyl]-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is XZSLEVAVOOMNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c16-10(3-6-15-8-11-7-14-15)13-5-4-12-9-1-2-9/h7-9,12H,1-6H2,(H,13,16).
What are the key properties of N-[2-(cyclopropylamino)ethyl]-3-(1,2,4-triazol-1-yl)propanamide?
N-[2-(cyclopropylamino)ethyl]-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 223.28 g/mol, XLogP of -0.46, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylamino)ethyl]-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 62665464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).