5-(propylamino)-N-(1H-pyrazol-4-yl)pyrazine-2-carboxamide

C11H14N6O — CID 107374526

IUPAC5-(propylamino)-N-(1H-pyrazol-4-yl)pyrazine-2-carboxamide
SMILESCCCNc1cnc(C(=O)Nc2cn[nH]c2)cn1
InChIInChI=1S/C11H14N6O/c1-2-3-12-10-7-13-9(6-14-10)11(18)17-8-4-15-16-5-8/h4-7H,2-3H2,1H3,(H,12,14)(H,15,16)(H,17,18)
InChIKeyXKSNBROZKYRWCZ-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.27
Rot. Bonds5

About 5-(propylamino)-N-(1H-pyrazol-4-yl)pyrazine-2-carboxamide

5-(propylamino)-N-(1H-pyrazol-4-yl)pyrazine-2-carboxamide (PubChem CID 107374526) has the molecular formula C11H14N6O and a molecular weight of 246.27 g/mol. Its IUPAC name is 5-(propylamino)-N-(1H-pyrazol-4-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(propylamino)-N-(1H-pyrazol-4-yl)pyrazine-2-carboxamide
PubChem CID107374526
Molecular FormulaC11H14N6O
Molecular Weight246.27 g/mol
Exact Mass246.12
IUPAC Name5-(propylamino)-N-(1H-pyrazol-4-yl)pyrazine-2-carboxamide
SMILESCCCNc1cnc(C(=O)Nc2cn[nH]c2)cn1
InChIInChI=1S/C11H14N6O/c1-2-3-12-10-7-13-9(6-14-10)11(18)17-8-4-15-16-5-8/h4-7H,2-3H2,1H3,(H,12,14)(H,15,16)(H,17,18)
InChIKeyXKSNBROZKYRWCZ-UHFFFAOYSA-N
XLogP1.27
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[[5-(propylamino)pyrazine-2-carbonyl]amino]benzoate
CID 109271104
N-(6-methyl-3-pyridinyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107376409
5-(propylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]pyrazine-2-carboxamide
CID 106218117
N-(4-cyanophenyl)-5-(propylamino)pyrazine-2-carboxamide
CID 109271147
N-(3-bromo-2-pyridinyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107375986
N-(5-chloro-2-pyridinyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107374336
N-(2-methyl-1,2,4-triazol-3-yl)-5-(propylamino)pyrazine-2-carboxamide
CID 107376425
N-(2-methoxyethyl)-5-(propylamino)pyrazine-2-carboxamide
CID 109270966
N-(3-chloro-2-pyridinyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107377262
5-(butylamino)-N-(3,5-dimethylphenyl)pyrazine-2-carboxamide
CID 109272630
N-(2-methylbutan-2-yl)-5-(propylamino)pyrazine-2-carboxamide
CID 107374127
3,5-difluoro-4-(propylamino)-N-(1H-pyrazol-4-yl)benzamide
CID 63185488

Frequently Asked Questions

What is the IUPAC name of 5-(propylamino)-N-(1H-pyrazol-4-yl)pyrazine-2-carboxamide?
The IUPAC name of 5-(propylamino)-N-(1H-pyrazol-4-yl)pyrazine-2-carboxamide (CID 107374526) is 5-(propylamino)-N-(1H-pyrazol-4-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(propylamino)-N-(1H-pyrazol-4-yl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(propylamino)-N-(1H-pyrazol-4-yl)pyrazine-2-carboxamide is CCCNc1cnc(C(=O)Nc2cn[nH]c2)cn1.
What is the InChIKey of 5-(propylamino)-N-(1H-pyrazol-4-yl)pyrazine-2-carboxamide?
The InChIKey is XKSNBROZKYRWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O/c1-2-3-12-10-7-13-9(6-14-10)11(18)17-8-4-15-16-5-8/h4-7H,2-3H2,1H3,(H,12,14)(H,15,16)(H,17,18).
What are the key properties of 5-(propylamino)-N-(1H-pyrazol-4-yl)pyrazine-2-carboxamide?
5-(propylamino)-N-(1H-pyrazol-4-yl)pyrazine-2-carboxamide has a molecular weight of 246.27 g/mol, XLogP of 1.27, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(propylamino)-N-(1H-pyrazol-4-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 107374526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).