N-[(1-methylbenzimidazol-2-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine

C15H14N6 — CID 167791140

IUPACN-[(1-methylbenzimidazol-2-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCn1c(CNc2ncnn3cccc23)nc2ccccc21
InChIInChI=1S/C15H14N6/c1-20-12-6-3-2-5-11(12)19-14(20)9-16-15-13-7-4-8-21(13)18-10-17-15/h2-8,10H,9H2,1H3,(H,16,17,18)
InChIKeyXWCJJUFPJVTOKQ-UHFFFAOYSA-N
MW278.32 g/mol
LogP2.23
Rot. Bonds3

About N-[(1-methylbenzimidazol-2-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine

N-[(1-methylbenzimidazol-2-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 167791140) has the molecular formula C15H14N6 and a molecular weight of 278.32 g/mol. Its IUPAC name is N-[(1-methylbenzimidazol-2-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound NameN-[(1-methylbenzimidazol-2-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID167791140
Molecular FormulaC15H14N6
Molecular Weight278.32 g/mol
Exact Mass278.13
IUPAC NameN-[(1-methylbenzimidazol-2-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCn1c(CNc2ncnn3cccc23)nc2ccccc21
InChIInChI=1S/C15H14N6/c1-20-12-6-3-2-5-11(12)19-14(20)9-16-15-13-7-4-8-21(13)18-10-17-15/h2-8,10H,9H2,1H3,(H,16,17,18)
InChIKeyXWCJJUFPJVTOKQ-UHFFFAOYSA-N
XLogP2.23
TPSA60.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]aniline
CID 974484
6-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]pyridin-3-amine
CID 103825773
N-[(1-methylbenzimidazol-2-yl)methyl]-1,3-thiazol-2-amine
CID 78911712
N-[(1-methylbenzimidazol-2-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine
CID 78923351
N-[(1-methylbenzimidazol-2-yl)methyl]methanesulfonamide
CID 110712040
N-[tert-butyl(dimethyl)silyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 172845510
3,5-dichloro-4-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]aniline
CID 107572808
1-(2,2-dimethylpropyl)-3-[(1-methylbenzimidazol-2-yl)methyl]urea
CID 110747240
2,6-dichloro-4-[(1-methylbenzimidazol-2-yl)methylamino]phenol
CID 107679286
1-methyl-2-[4-(1-methylbenzimidazol-2-yl)butyl]benzimidazole
CID 171320881
2-(iodomethyl)-1-methylbenzimidazole
CID 20803299
2,2,3,3-tetramethyl-N-[(1-methylbenzimidazol-2-yl)methyl]cyclopropan-1-amine
CID 79351807

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylbenzimidazol-2-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of N-[(1-methylbenzimidazol-2-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 167791140) is N-[(1-methylbenzimidazol-2-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for N-[(1-methylbenzimidazol-2-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for N-[(1-methylbenzimidazol-2-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine is Cn1c(CNc2ncnn3cccc23)nc2ccccc21.
What is the InChIKey of N-[(1-methylbenzimidazol-2-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is XWCJJUFPJVTOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6/c1-20-12-6-3-2-5-11(12)19-14(20)9-16-15-13-7-4-8-21(13)18-10-17-15/h2-8,10H,9H2,1H3,(H,16,17,18).
What are the key properties of N-[(1-methylbenzimidazol-2-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
N-[(1-methylbenzimidazol-2-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 278.32 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylbenzimidazol-2-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 167791140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).