N-propyl-2H-triazole-4-carboxamide

C6H10N4O — CID 54219715

IUPACN-propyl-2H-triazole-4-carboxamide
SMILESCCCNC(=O)c1cn[nH]n1
InChIInChI=1S/C6H10N4O/c1-2-3-7-6(11)5-4-8-10-9-5/h4H,2-3H2,1H3,(H,7,11)(H,8,9,10)
InChIKeyRUDUKXHQTTZWTR-UHFFFAOYSA-N
MW154.17 g/mol
LogP-0.06
Rot. Bonds3

About N-propyl-2H-triazole-4-carboxamide

N-propyl-2H-triazole-4-carboxamide (PubChem CID 54219715) has the molecular formula C6H10N4O and a molecular weight of 154.17 g/mol. Its IUPAC name is N-propyl-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-propyl-2H-triazole-4-carboxamide
PubChem CID54219715
Molecular FormulaC6H10N4O
Molecular Weight154.17 g/mol
Exact Mass154.09
IUPAC NameN-propyl-2H-triazole-4-carboxamide
SMILESCCCNC(=O)c1cn[nH]n1
InChIInChI=1S/C6H10N4O/c1-2-3-7-6(11)5-4-8-10-9-5/h4H,2-3H2,1H3,(H,7,11)(H,8,9,10)
InChIKeyRUDUKXHQTTZWTR-UHFFFAOYSA-N
XLogP-0.06
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-propyl-2H-triazole-4-carboxamide?
The IUPAC name of N-propyl-2H-triazole-4-carboxamide (CID 54219715) is N-propyl-2H-triazole-4-carboxamide.
What is the SMILES notation for N-propyl-2H-triazole-4-carboxamide?
The canonical SMILES for N-propyl-2H-triazole-4-carboxamide is CCCNC(=O)c1cn[nH]n1.
What is the InChIKey of N-propyl-2H-triazole-4-carboxamide?
The InChIKey is RUDUKXHQTTZWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O/c1-2-3-7-6(11)5-4-8-10-9-5/h4H,2-3H2,1H3,(H,7,11)(H,8,9,10).
What are the key properties of N-propyl-2H-triazole-4-carboxamide?
N-propyl-2H-triazole-4-carboxamide has a molecular weight of 154.17 g/mol, XLogP of -0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2H-triazole-4-carboxamide is sourced from PubChem (CID 54219715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).