3-amino-N-[3-(cyclopropylmethoxy)propyl]-1H-1,2,4-triazole-5-carboxamide

C10H17N5O2 — CID 55115378

IUPAC3-amino-N-[3-(cyclopropylmethoxy)propyl]-1H-1,2,4-triazole-5-carboxamide
SMILESNc1n[nH]c(C(=O)NCCCOCC2CC2)n1
InChIInChI=1S/C10H17N5O2/c11-10-13-8(14-15-10)9(16)12-4-1-5-17-6-7-2-3-7/h7H,1-6H2,(H,12,16)(H3,11,13,14,15)
InChIKeyWRXUIRMGLWTJIK-UHFFFAOYSA-N
MW239.28 g/mol
LogP-0.07
Rot. Bonds7

About 3-amino-N-[3-(cyclopropylmethoxy)propyl]-1H-1,2,4-triazole-5-carboxamide

3-amino-N-[3-(cyclopropylmethoxy)propyl]-1H-1,2,4-triazole-5-carboxamide (PubChem CID 55115378) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is 3-amino-N-[3-(cyclopropylmethoxy)propyl]-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-(cyclopropylmethoxy)propyl]-1H-1,2,4-triazole-5-carboxamide
PubChem CID55115378
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC Name3-amino-N-[3-(cyclopropylmethoxy)propyl]-1H-1,2,4-triazole-5-carboxamide
SMILESNc1n[nH]c(C(=O)NCCCOCC2CC2)n1
InChIInChI=1S/C10H17N5O2/c11-10-13-8(14-15-10)9(16)12-4-1-5-17-6-7-2-3-7/h7H,1-6H2,(H,12,16)(H3,11,13,14,15)
InChIKeyWRXUIRMGLWTJIK-UHFFFAOYSA-N
XLogP-0.07
TPSA105.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(cyclopropylmethoxy)propyl]-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of 3-amino-N-[3-(cyclopropylmethoxy)propyl]-1H-1,2,4-triazole-5-carboxamide (CID 55115378) is 3-amino-N-[3-(cyclopropylmethoxy)propyl]-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-[3-(cyclopropylmethoxy)propyl]-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for 3-amino-N-[3-(cyclopropylmethoxy)propyl]-1H-1,2,4-triazole-5-carboxamide is Nc1n[nH]c(C(=O)NCCCOCC2CC2)n1.
What is the InChIKey of 3-amino-N-[3-(cyclopropylmethoxy)propyl]-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is WRXUIRMGLWTJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c11-10-13-8(14-15-10)9(16)12-4-1-5-17-6-7-2-3-7/h7H,1-6H2,(H,12,16)(H3,11,13,14,15).
What are the key properties of 3-amino-N-[3-(cyclopropylmethoxy)propyl]-1H-1,2,4-triazole-5-carboxamide?
3-amino-N-[3-(cyclopropylmethoxy)propyl]-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 239.28 g/mol, XLogP of -0.07, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(cyclopropylmethoxy)propyl]-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 55115378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).