N-propyl-N-(1H-1,2,4-triazol-5-yl)formamide

C6H10N4O — CID 91806039

IUPACN-propyl-N-(1H-1,2,4-triazol-5-yl)formamide
SMILESCCCN(C=O)c1ncn[nH]1
InChIInChI=1S/C6H10N4O/c1-2-3-10(5-11)6-7-4-8-9-6/h4-5H,2-3H2,1H3,(H,7,8,9)
InChIKeyXUKDIWLKYCQPGW-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.18
Rot. Bonds4

About N-propyl-N-(1H-1,2,4-triazol-5-yl)formamide

N-propyl-N-(1H-1,2,4-triazol-5-yl)formamide (PubChem CID 91806039) has the molecular formula C6H10N4O and a molecular weight of 154.17 g/mol. Its IUPAC name is N-propyl-N-(1H-1,2,4-triazol-5-yl)formamide.

Molecular Properties

Compound NameN-propyl-N-(1H-1,2,4-triazol-5-yl)formamide
PubChem CID91806039
Molecular FormulaC6H10N4O
Molecular Weight154.17 g/mol
Exact Mass154.09
IUPAC NameN-propyl-N-(1H-1,2,4-triazol-5-yl)formamide
SMILESCCCN(C=O)c1ncn[nH]1
InChIInChI=1S/C6H10N4O/c1-2-3-10(5-11)6-7-4-8-9-6/h4-5H,2-3H2,1H3,(H,7,8,9)
InChIKeyXUKDIWLKYCQPGW-UHFFFAOYSA-N
XLogP0.18
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-propyl-N-(1H-1,2,4-triazol-5-yl)formamide?
The IUPAC name of N-propyl-N-(1H-1,2,4-triazol-5-yl)formamide (CID 91806039) is N-propyl-N-(1H-1,2,4-triazol-5-yl)formamide.
What is the SMILES notation for N-propyl-N-(1H-1,2,4-triazol-5-yl)formamide?
The canonical SMILES for N-propyl-N-(1H-1,2,4-triazol-5-yl)formamide is CCCN(C=O)c1ncn[nH]1.
What is the InChIKey of N-propyl-N-(1H-1,2,4-triazol-5-yl)formamide?
The InChIKey is XUKDIWLKYCQPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O/c1-2-3-10(5-11)6-7-4-8-9-6/h4-5H,2-3H2,1H3,(H,7,8,9).
What are the key properties of N-propyl-N-(1H-1,2,4-triazol-5-yl)formamide?
N-propyl-N-(1H-1,2,4-triazol-5-yl)formamide has a molecular weight of 154.17 g/mol, XLogP of 0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N-(1H-1,2,4-triazol-5-yl)formamide is sourced from PubChem (CID 91806039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).