N-[2-(aminomethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C13H14N6 — CID 63760131

IUPACN-[2-(aminomethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(Nc2ccccc2CN)n2ncnc2n1
InChIInChI=1S/C13H14N6/c1-9-6-12(19-13(17-9)15-8-16-19)18-11-5-3-2-4-10(11)7-14/h2-6,8,18H,7,14H2,1H3
InChIKeyZFPGXEFAQGHORS-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.64
Rot. Bonds3

About N-[2-(aminomethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-[2-(aminomethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 63760131) has the molecular formula C13H14N6 and a molecular weight of 254.30 g/mol. Its IUPAC name is N-[2-(aminomethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[2-(aminomethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID63760131
Molecular FormulaC13H14N6
Molecular Weight254.30 g/mol
Exact Mass254.13
IUPAC NameN-[2-(aminomethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(Nc2ccccc2CN)n2ncnc2n1
InChIInChI=1S/C13H14N6/c1-9-6-12(19-13(17-9)15-8-16-19)18-11-5-3-2-4-10(11)7-14/h2-6,8,18H,7,14H2,1H3
InChIKeyZFPGXEFAQGHORS-UHFFFAOYSA-N
XLogP1.64
TPSA81.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenol
CID 115598697
N-[(2-bromophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 61401875
4-chloro-3-N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzene-1,3-diamine
CID 54903551
5-methyl-N-(6-methyl-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 6493508
5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 741597
5-methyl-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 39771868
N-(2,2-diphenylethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 3228693
N-benzhydryl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 32678340
N-(4-ethoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 743051
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 1088123
N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1-phenylpropane-1,3-diamine
CID 80505333
5-methyl-N-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 71887377

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[2-(aminomethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 63760131) is N-[2-(aminomethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[2-(aminomethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[2-(aminomethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cc(Nc2ccccc2CN)n2ncnc2n1.
What is the InChIKey of N-[2-(aminomethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is ZFPGXEFAQGHORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6/c1-9-6-12(19-13(17-9)15-8-16-19)18-11-5-3-2-4-10(11)7-14/h2-6,8,18H,7,14H2,1H3.
What are the key properties of N-[2-(aminomethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-[2-(aminomethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 254.30 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 63760131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).