N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C17H17N7 — CID 133406710

IUPACN-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(Nc2ccc3c(c2)nc(C2CC2)n3C)n2ncnc2n1
InChIInChI=1S/C17H17N7/c1-10-7-15(24-17(20-10)18-9-19-24)21-12-5-6-14-13(8-12)22-16(23(14)2)11-3-4-11/h5-9,11,21H,3-4H2,1-2H3
InChIKeyUCWMTMDPRNVVBX-UHFFFAOYSA-N
MW319.37 g/mol
LogP2.94
Rot. Bonds3

About N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 133406710) has the molecular formula C17H17N7 and a molecular weight of 319.37 g/mol. Its IUPAC name is N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID133406710
Molecular FormulaC17H17N7
Molecular Weight319.37 g/mol
Exact Mass319.15
IUPAC NameN-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(Nc2ccc3c(c2)nc(C2CC2)n3C)n2ncnc2n1
InChIInChI=1S/C17H17N7/c1-10-7-15(24-17(20-10)18-9-19-24)21-12-5-6-14-13(8-12)22-16(23(14)2)11-3-4-11/h5-9,11,21H,3-4H2,1-2H3
InChIKeyUCWMTMDPRNVVBX-UHFFFAOYSA-N
XLogP2.94
TPSA72.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 741597
N-[3,4-bis(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 51347394
5-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 25263432
4-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)amino]-2,6-dimethylpyridine-3-carbonitrile
CID 133406706
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 7416167
N-cyclopropyl-N-[[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]methyl]acetamide
CID 133316402
N-(1-benzothiophen-5-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 51347105
N-(4-ethoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 743051
N-(4-tert-butyl-3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 51347392
N-cyclobutyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 53259071
N-[2-(fluoromethyl)-3H-benzimidazol-5-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 70987262
N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133406759

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 133406710) is N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cc(Nc2ccc3c(c2)nc(C2CC2)n3C)n2ncnc2n1.
What is the InChIKey of N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is UCWMTMDPRNVVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7/c1-10-7-15(24-17(20-10)18-9-19-24)21-12-5-6-14-13(8-12)22-16(23(14)2)11-3-4-11/h5-9,11,21H,3-4H2,1-2H3.
What are the key properties of N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 319.37 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 133406710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).