1-(1-methylpyrazol-4-yl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine

C14H16N6 — CID 61350413

IUPAC1-(1-methylpyrazol-4-yl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine
SMILESCn1cc(CNCc2cnn(-c3ccccc3)n2)cn1
InChIInChI=1S/C14H16N6/c1-19-11-12(8-16-19)7-15-9-13-10-17-20(18-13)14-5-3-2-4-6-14/h2-6,8,10-11,15H,7,9H2,1H3
InChIKeyYFSREKJJFQOAQG-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.29
Rot. Bonds5

About 1-(1-methylpyrazol-4-yl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine

1-(1-methylpyrazol-4-yl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine (PubChem CID 61350413) has the molecular formula C14H16N6 and a molecular weight of 268.32 g/mol. Its IUPAC name is 1-(1-methylpyrazol-4-yl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1-methylpyrazol-4-yl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine
PubChem CID61350413
Molecular FormulaC14H16N6
Molecular Weight268.32 g/mol
Exact Mass268.14
IUPAC Name1-(1-methylpyrazol-4-yl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine
SMILESCn1cc(CNCc2cnn(-c3ccccc3)n2)cn1
InChIInChI=1S/C14H16N6/c1-19-11-12(8-16-19)7-15-9-13-10-17-20(18-13)14-5-3-2-4-6-14/h2-6,8,10-11,15H,7,9H2,1H3
InChIKeyYFSREKJJFQOAQG-UHFFFAOYSA-N
XLogP1.29
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-methylpyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride
CID 126966764
1-(6-methyl-3-pyridinyl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine
CID 62405326
N-[(2-phenyltriazol-4-yl)methyl]ethanamine;hydrochloride
CID 71758233
1-(3-methoxyphenyl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine
CID 17455113
3,3-dimethyl-N-[(2-phenyltriazol-4-yl)methyl]butan-1-amine
CID 115600357
N-methyl-N'-[(2-phenyltriazol-4-yl)methyl]propane-1,3-diamine
CID 113410140
N-[(1-methylpyrazol-4-yl)methyl]-2-phenylethanamine;hydrochloride
CID 126966836
2-N,2-N,2-trimethyl-1-N-[(2-phenyltriazol-4-yl)methyl]propane-1,2-diamine
CID 28774650
[2-(1-methylpyrazol-4-yl)-1-(2-phenyltriazol-4-yl)ethyl]hydrazine
CID 105291066
N-[(1-methylpyrazol-4-yl)methyl]-1-(5-methyl-2-pyridinyl)methanamine
CID 80709626
4-methyl-N-[(2-phenyltriazol-4-yl)methyl]pentan-1-amine
CID 54913963
1-[(2-phenyltriazol-4-yl)methylamino]butan-2-ol
CID 113492048

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-4-yl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(1-methylpyrazol-4-yl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine (CID 61350413) is 1-(1-methylpyrazol-4-yl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(1-methylpyrazol-4-yl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(1-methylpyrazol-4-yl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine is Cn1cc(CNCc2cnn(-c3ccccc3)n2)cn1.
What is the InChIKey of 1-(1-methylpyrazol-4-yl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine?
The InChIKey is YFSREKJJFQOAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6/c1-19-11-12(8-16-19)7-15-9-13-10-17-20(18-13)14-5-3-2-4-6-14/h2-6,8,10-11,15H,7,9H2,1H3.
What are the key properties of 1-(1-methylpyrazol-4-yl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine?
1-(1-methylpyrazol-4-yl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine has a molecular weight of 268.32 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-4-yl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine is sourced from PubChem (CID 61350413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).