6-(ethylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrazine-2-carboxamide

C11H15N7O — CID 106283611

IUPAC6-(ethylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrazine-2-carboxamide
SMILESCCNc1cncc(C(=O)NC(C)c2ncn[nH]2)n1
InChIInChI=1S/C11H15N7O/c1-3-13-9-5-12-4-8(17-9)11(19)16-7(2)10-14-6-15-18-10/h4-7H,3H2,1-2H3,(H,13,17)(H,16,19)(H,14,15,18)
InChIKeySQJLSMVIVUMOLT-UHFFFAOYSA-N
MW261.29 g/mol
LogP0.52
Rot. Bonds5

About 6-(ethylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrazine-2-carboxamide

6-(ethylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrazine-2-carboxamide (PubChem CID 106283611) has the molecular formula C11H15N7O and a molecular weight of 261.29 g/mol. Its IUPAC name is 6-(ethylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-(ethylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrazine-2-carboxamide
PubChem CID106283611
Molecular FormulaC11H15N7O
Molecular Weight261.29 g/mol
Exact Mass261.13
IUPAC Name6-(ethylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrazine-2-carboxamide
SMILESCCNc1cncc(C(=O)NC(C)c2ncn[nH]2)n1
InChIInChI=1S/C11H15N7O/c1-3-13-9-5-12-4-8(17-9)11(19)16-7(2)10-14-6-15-18-10/h4-7H,3H2,1-2H3,(H,13,17)(H,16,19)(H,14,15,18)
InChIKeySQJLSMVIVUMOLT-UHFFFAOYSA-N
XLogP0.52
TPSA108.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-(1,2,4-Triazol-1-yl)pyrazine-2-carboxamide
CID 457575
[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-(1H-imidazol-5-yl)methanone
CID 71872925
1H-imidazol-5-yl-[2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 72123549
[3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-(2-propan-2-yl-1H-imidazol-5-yl)methanone
CID 72127418
(2-propan-2-yl-1H-imidazol-5-yl)-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 72128796
[3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-(1H-imidazol-5-yl)methanone
CID 72141944
[3-(3,5-Dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 72142910
2-amino-N-(1H-imidazol-2-ylmethyl)-4-oxo-3H-pteridine-7-carboxamide
CID 136233421
6-(dimethylamino)-N-(1H-tetrazol-5-yl)-2-pyrazinecarboxamide
CID 194903
(3S,4S)-N-methyl-1-[(5-methyl-2-pyrazinyl)carbonyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrole-3-carboxamide
CID 91911181
6-[(trans-3-{5-[(dimethylamino)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}cyclobutyl)amino]-N,N-dimethylpyrazine-2-carboxamide
CID 91764573
N-propan-2-ylimidazo[1,2-a]pyrazine-2-carboxamide
CID 53014546

Frequently Asked Questions

What is the IUPAC name of 6-(ethylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrazine-2-carboxamide?
The IUPAC name of 6-(ethylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrazine-2-carboxamide (CID 106283611) is 6-(ethylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for 6-(ethylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrazine-2-carboxamide?
The canonical SMILES for 6-(ethylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrazine-2-carboxamide is CCNc1cncc(C(=O)NC(C)c2ncn[nH]2)n1.
What is the InChIKey of 6-(ethylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrazine-2-carboxamide?
The InChIKey is SQJLSMVIVUMOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N7O/c1-3-13-9-5-12-4-8(17-9)11(19)16-7(2)10-14-6-15-18-10/h4-7H,3H2,1-2H3,(H,13,17)(H,16,19)(H,14,15,18).
What are the key properties of 6-(ethylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrazine-2-carboxamide?
6-(ethylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrazine-2-carboxamide has a molecular weight of 261.29 g/mol, XLogP of 0.52, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 106283611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).