N-[2-(propylamino)ethyl]-2H-triazole-4-carboxamide

C8H15N5O — CID 63282932

IUPACN-[2-(propylamino)ethyl]-2H-triazole-4-carboxamide
SMILESCCCNCCNC(=O)c1cn[nH]n1
InChIInChI=1S/C8H15N5O/c1-2-3-9-4-5-10-8(14)7-6-11-13-12-7/h6,9H,2-5H2,1H3,(H,10,14)(H,11,12,13)
InChIKeyYFBZJIMSNFQJJA-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.47
Rot. Bonds6

About N-[2-(propylamino)ethyl]-2H-triazole-4-carboxamide

N-[2-(propylamino)ethyl]-2H-triazole-4-carboxamide (PubChem CID 63282932) has the molecular formula C8H15N5O and a molecular weight of 197.24 g/mol. Its IUPAC name is N-[2-(propylamino)ethyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(propylamino)ethyl]-2H-triazole-4-carboxamide
PubChem CID63282932
Molecular FormulaC8H15N5O
Molecular Weight197.24 g/mol
Exact Mass197.13
IUPAC NameN-[2-(propylamino)ethyl]-2H-triazole-4-carboxamide
SMILESCCCNCCNC(=O)c1cn[nH]n1
InChIInChI=1S/C8H15N5O/c1-2-3-9-4-5-10-8(14)7-6-11-13-12-7/h6,9H,2-5H2,1H3,(H,10,14)(H,11,12,13)
InChIKeyYFBZJIMSNFQJJA-UHFFFAOYSA-N
XLogP-0.47
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 N-[2-(propylamino)ethyl]-2H-triazole-4-carboxamide?
The IUPAC name of N-[2-(propylamino)ethyl]-2H-triazole-4-carboxamide (CID 63282932) is N-[2-(propylamino)ethyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for N-[2-(propylamino)ethyl]-2H-triazole-4-carboxamide?
The canonical SMILES for N-[2-(propylamino)ethyl]-2H-triazole-4-carboxamide is CCCNCCNC(=O)c1cn[nH]n1.
What is the InChIKey of N-[2-(propylamino)ethyl]-2H-triazole-4-carboxamide?
The InChIKey is YFBZJIMSNFQJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O/c1-2-3-9-4-5-10-8(14)7-6-11-13-12-7/h6,9H,2-5H2,1H3,(H,10,14)(H,11,12,13).
What are the key properties of N-[2-(propylamino)ethyl]-2H-triazole-4-carboxamide?
N-[2-(propylamino)ethyl]-2H-triazole-4-carboxamide has a molecular weight of 197.24 g/mol, XLogP of -0.47, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(propylamino)ethyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 63282932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).