(5-methyl-1-phenyltriazol-4-yl)methanamine;dihydrochloride

C10H14Cl2N4 — CID 154878745

IUPAC(5-methyl-1-phenyltriazol-4-yl)methanamine;dihydrochloride
SMILESCc1c(CN)nnn1-c1ccccc1.Cl.Cl
InChIInChI=1S/C10H12N4.2ClH/c1-8-10(7-11)12-13-14(8)9-5-3-2-4-6-9;;/h2-6H,7,11H2,1H3;2*1H
InChIKeyUQNXIRQVCFFTQT-UHFFFAOYSA-N
MW261.16 g/mol
LogP1.88
Rot. Bonds2

About (5-methyl-1-phenyltriazol-4-yl)methanamine;dihydrochloride

(5-methyl-1-phenyltriazol-4-yl)methanamine;dihydrochloride (PubChem CID 154878745) has the molecular formula C10H14Cl2N4 and a molecular weight of 261.16 g/mol. Its IUPAC name is (5-methyl-1-phenyltriazol-4-yl)methanamine;dihydrochloride.

Molecular Properties

Compound Name(5-methyl-1-phenyltriazol-4-yl)methanamine;dihydrochloride
PubChem CID154878745
Molecular FormulaC10H14Cl2N4
Molecular Weight261.16 g/mol
Exact Mass260.06
IUPAC Name(5-methyl-1-phenyltriazol-4-yl)methanamine;dihydrochloride
SMILESCc1c(CN)nnn1-c1ccccc1.Cl.Cl
InChIInChI=1S/C10H12N4.2ClH/c1-8-10(7-11)12-13-14(8)9-5-3-2-4-6-9;;/h2-6H,7,11H2,1H3;2*1H
InChIKeyUQNXIRQVCFFTQT-UHFFFAOYSA-N
XLogP1.88
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.16
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]methanamine
CID 28911796
2-[4-[4-(aminomethyl)-5-methyltriazol-1-yl]phenyl]acetic acid
CID 82195554
(5-tert-butyl-1-phenyltriazol-4-yl)methanamine
CID 82200264
4-[4-(aminomethyl)-5-methyltriazol-1-yl]-N,N-diethylaniline
CID 82195462
N-(3-aminopropyl)-2-(5-methyl-1-phenyltriazol-4-yl)acetamide;hydrochloride
CID 119407316
[5-[2-(4-methylphenyl)ethyl]-1-phenyltriazol-4-yl]methanamine
CID 82200300
[5-methyl-1-[4-(2-methylpropoxy)phenyl]triazol-4-yl]methanamine
CID 82199923
(5-butyl-1-phenyltriazol-4-yl)methanamine
CID 82200262
5-methyl-1-phenyltriazol-4-ol
CID 15257136
N-[1-(aminomethyl)cyclopentyl]-2-(5-methyl-1-phenyltriazol-4-yl)acetamide;hydrochloride
CID 119567001
[5-(2-fluorophenyl)-1-phenyltriazol-4-yl]methanamine
CID 82200276
[5-methyl-1-(2-propoxyphenyl)triazol-4-yl]methanamine
CID 82199485

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1-phenyltriazol-4-yl)methanamine;dihydrochloride?
The IUPAC name of (5-methyl-1-phenyltriazol-4-yl)methanamine;dihydrochloride (CID 154878745) is (5-methyl-1-phenyltriazol-4-yl)methanamine;dihydrochloride.
What is the SMILES notation for (5-methyl-1-phenyltriazol-4-yl)methanamine;dihydrochloride?
The canonical SMILES for (5-methyl-1-phenyltriazol-4-yl)methanamine;dihydrochloride is Cc1c(CN)nnn1-c1ccccc1.Cl.Cl.
What is the InChIKey of (5-methyl-1-phenyltriazol-4-yl)methanamine;dihydrochloride?
The InChIKey is UQNXIRQVCFFTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4.2ClH/c1-8-10(7-11)12-13-14(8)9-5-3-2-4-6-9;;/h2-6H,7,11H2,1H3;2*1H.
What are the key properties of (5-methyl-1-phenyltriazol-4-yl)methanamine;dihydrochloride?
(5-methyl-1-phenyltriazol-4-yl)methanamine;dihydrochloride has a molecular weight of 261.16 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1-phenyltriazol-4-yl)methanamine;dihydrochloride is sourced from PubChem (CID 154878745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).