6-methyl-N-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine

C12H15N5 — CID 82563604

IUPAC6-methyl-N-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine
SMILESCc1ccc2c(c1)nc1nc(NC(C)C)[nH]n12
InChIInChI=1S/C12H15N5/c1-7(2)13-11-15-12-14-9-6-8(3)4-5-10(9)17(12)16-11/h4-7H,1-3H3,(H2,13,14,15,16)
InChIKeyQMXCLXJWVIFVLP-UHFFFAOYSA-N
MW229.29 g/mol
LogP2.34
Rot. Bonds2

About 6-methyl-N-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine

6-methyl-N-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine (PubChem CID 82563604) has the molecular formula C12H15N5 and a molecular weight of 229.29 g/mol. Its IUPAC name is 6-methyl-N-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine.

Molecular Properties

Compound Name6-methyl-N-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine
PubChem CID82563604
Molecular FormulaC12H15N5
Molecular Weight229.29 g/mol
Exact Mass229.13
IUPAC Name6-methyl-N-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine
SMILESCc1ccc2c(c1)nc1nc(NC(C)C)[nH]n12
InChIInChI=1S/C12H15N5/c1-7(2)13-11-15-12-14-9-6-8(3)4-5-10(9)17(12)16-11/h4-7H,1-3H3,(H2,13,14,15,16)
InChIKeyQMXCLXJWVIFVLP-UHFFFAOYSA-N
XLogP2.34
TPSA58.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(propan-2-ylamino)-1H-[1,2,4]triazolo[1,5-a]benzimidazole-6-carboxylate
CID 82564056
N-(3,4-difluorophenyl)-6-methyl-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine
CID 82563568
N-[4-[(6-methyl-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]phenyl]acetamide
CID 82563585
ethyl 2-[(6-methyl-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]acetate
CID 82563616
N-[2-(4-fluorophenyl)ethyl]-6-methoxy-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine
CID 82563676
ethyl 2-[(6-bromo-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]acetate
CID 82564241
2-[(4-fluorophenyl)methylamino]-1H-[1,2,4]triazolo[1,5-a]benzimidazole-6-carboxylic acid
CID 82563998
6-chloro-N-(2-methyl-2-phenylpropyl)-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine
CID 82563750
6-chloro-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine
CID 82563727
2-[4-(trifluoromethyl)anilino]-1H-[1,2,4]triazolo[1,5-a]benzimidazole-6-carboxylic acid
CID 82563979
ethyl 2-[(6-cyano-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]acetate
CID 82564184
6-bromo-N-(2,5-difluorophenyl)-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine
CID 82564203

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine?
The IUPAC name of 6-methyl-N-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine (CID 82563604) is 6-methyl-N-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine.
What is the SMILES notation for 6-methyl-N-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine?
The canonical SMILES for 6-methyl-N-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine is Cc1ccc2c(c1)nc1nc(NC(C)C)[nH]n12.
What is the InChIKey of 6-methyl-N-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine?
The InChIKey is QMXCLXJWVIFVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5/c1-7(2)13-11-15-12-14-9-6-8(3)4-5-10(9)17(12)16-11/h4-7H,1-3H3,(H2,13,14,15,16).
What are the key properties of 6-methyl-N-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine?
6-methyl-N-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine has a molecular weight of 229.29 g/mol, XLogP of 2.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine is sourced from PubChem (CID 82563604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).