N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrazine-2-carboxamide

C12H16N6O — CID 91793807

IUPACN-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrazine-2-carboxamide
SMILESCCCn1ncnc1C(C)NC(=O)c1cnccn1
InChIInChI=1S/C12H16N6O/c1-3-6-18-11(15-8-16-18)9(2)17-12(19)10-7-13-4-5-14-10/h4-5,7-9H,3,6H2,1-2H3,(H,17,19)
InChIKeyQGHCVRONTXAVDB-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.97
Rot. Bonds5

About N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrazine-2-carboxamide

N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrazine-2-carboxamide (PubChem CID 91793807) has the molecular formula C12H16N6O and a molecular weight of 260.30 g/mol. Its IUPAC name is N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrazine-2-carboxamide
PubChem CID91793807
Molecular FormulaC12H16N6O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC NameN-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrazine-2-carboxamide
SMILESCCCn1ncnc1C(C)NC(=O)c1cnccn1
InChIInChI=1S/C12H16N6O/c1-3-6-18-11(15-8-16-18)9(2)17-12(19)10-7-13-4-5-14-10/h4-5,7-9H,3,6H2,1-2H3,(H,17,19)
InChIKeyQGHCVRONTXAVDB-UHFFFAOYSA-N
XLogP0.97
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrazine-2-carboxamide?
The IUPAC name of N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrazine-2-carboxamide (CID 91793807) is N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrazine-2-carboxamide is CCCn1ncnc1C(C)NC(=O)c1cnccn1.
What is the InChIKey of N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrazine-2-carboxamide?
The InChIKey is QGHCVRONTXAVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O/c1-3-6-18-11(15-8-16-18)9(2)17-12(19)10-7-13-4-5-14-10/h4-5,7-9H,3,6H2,1-2H3,(H,17,19).
What are the key properties of N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrazine-2-carboxamide?
N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrazine-2-carboxamide has a molecular weight of 260.30 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 91793807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).