N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-6-(1,2,4-triazol-1-yl)pyrazin-2-amine

C17H18N8 — CID 167819928

IUPACN-[2-(1-ethylbenzimidazol-2-yl)ethyl]-6-(1,2,4-triazol-1-yl)pyrazin-2-amine
SMILESCCn1c(CCNc2cncc(-n3cncn3)n2)nc2ccccc21
InChIInChI=1S/C17H18N8/c1-2-24-14-6-4-3-5-13(14)22-16(24)7-8-20-15-9-18-10-17(23-15)25-12-19-11-21-25/h3-6,9-12H,2,7-8H2,1H3,(H,20,23)
InChIKeySEMKOSBEIDBQFB-UHFFFAOYSA-N
MW334.39 g/mol
LogP2.08
Rot. Bonds6

About N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-6-(1,2,4-triazol-1-yl)pyrazin-2-amine

N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-6-(1,2,4-triazol-1-yl)pyrazin-2-amine (PubChem CID 167819928) has the molecular formula C17H18N8 and a molecular weight of 334.39 g/mol. Its IUPAC name is N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-6-(1,2,4-triazol-1-yl)pyrazin-2-amine.

Molecular Properties

Compound NameN-[2-(1-ethylbenzimidazol-2-yl)ethyl]-6-(1,2,4-triazol-1-yl)pyrazin-2-amine
PubChem CID167819928
Molecular FormulaC17H18N8
Molecular Weight334.39 g/mol
Exact Mass334.17
IUPAC NameN-[2-(1-ethylbenzimidazol-2-yl)ethyl]-6-(1,2,4-triazol-1-yl)pyrazin-2-amine
SMILESCCn1c(CCNc2cncc(-n3cncn3)n2)nc2ccccc21
InChIInChI=1S/C17H18N8/c1-2-24-14-6-4-3-5-13(14)22-16(24)7-8-20-15-9-18-10-17(23-15)25-12-19-11-21-25/h3-6,9-12H,2,7-8H2,1H3,(H,20,23)
InChIKeySEMKOSBEIDBQFB-UHFFFAOYSA-N
XLogP2.08
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-(1-ethylbenzimidazol-2-yl)ethyl]quinazolin-4-amine
CID 133277373
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CID 133304089
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2,2-dimethylpropanamide
CID 751289
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CID 79750930
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]prop-2-enamide
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ethane;2-(1-ethylbenzimidazol-2-yl)ethanol
CID 142101886
1-ethyl-2-pentylbenzimidazole
CID 3463966
3-[2-(1-ethylbenzimidazol-2-yl)ethylamino]pyrazine-2-carbonitrile
CID 133284481
1-[(3-ethylimidazol-4-yl)methyl]-2-propylbenzimidazole
CID 116627018
(2R)-2-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]propanamide
CID 119866308
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CID 131940714
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CID 110909164

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-6-(1,2,4-triazol-1-yl)pyrazin-2-amine?
The IUPAC name of N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-6-(1,2,4-triazol-1-yl)pyrazin-2-amine (CID 167819928) is N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-6-(1,2,4-triazol-1-yl)pyrazin-2-amine.
What is the SMILES notation for N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-6-(1,2,4-triazol-1-yl)pyrazin-2-amine?
The canonical SMILES for N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-6-(1,2,4-triazol-1-yl)pyrazin-2-amine is CCn1c(CCNc2cncc(-n3cncn3)n2)nc2ccccc21.
What is the InChIKey of N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-6-(1,2,4-triazol-1-yl)pyrazin-2-amine?
The InChIKey is SEMKOSBEIDBQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N8/c1-2-24-14-6-4-3-5-13(14)22-16(24)7-8-20-15-9-18-10-17(23-15)25-12-19-11-21-25/h3-6,9-12H,2,7-8H2,1H3,(H,20,23).
What are the key properties of N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-6-(1,2,4-triazol-1-yl)pyrazin-2-amine?
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-6-(1,2,4-triazol-1-yl)pyrazin-2-amine has a molecular weight of 334.39 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-6-(1,2,4-triazol-1-yl)pyrazin-2-amine is sourced from PubChem (CID 167819928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).