(5-methylpyrimidin-2-yl)-(3-phenyltriazol-4-yl)methanamine

C14H14N6 — CID 114688939

IUPAC(5-methylpyrimidin-2-yl)-(3-phenyltriazol-4-yl)methanamine
SMILESCc1cnc(C(N)c2cnnn2-c2ccccc2)nc1
InChIInChI=1S/C14H14N6/c1-10-7-16-14(17-8-10)13(15)12-9-18-19-20(12)11-5-3-2-4-6-11/h2-9,13H,15H2,1H3
InChIKeyJJBWZDBMQPYQKL-UHFFFAOYSA-N
MW266.31 g/mol
LogP1.41
Rot. Bonds3

About (5-methylpyrimidin-2-yl)-(3-phenyltriazol-4-yl)methanamine

(5-methylpyrimidin-2-yl)-(3-phenyltriazol-4-yl)methanamine (PubChem CID 114688939) has the molecular formula C14H14N6 and a molecular weight of 266.31 g/mol. Its IUPAC name is (5-methylpyrimidin-2-yl)-(3-phenyltriazol-4-yl)methanamine.

Molecular Properties

Compound Name(5-methylpyrimidin-2-yl)-(3-phenyltriazol-4-yl)methanamine
PubChem CID114688939
Molecular FormulaC14H14N6
Molecular Weight266.31 g/mol
Exact Mass266.13
IUPAC Name(5-methylpyrimidin-2-yl)-(3-phenyltriazol-4-yl)methanamine
SMILESCc1cnc(C(N)c2cnnn2-c2ccccc2)nc1
InChIInChI=1S/C14H14N6/c1-10-7-16-14(17-8-10)13(15)12-9-18-19-20(12)11-5-3-2-4-6-11/h2-9,13H,15H2,1H3
InChIKeyJJBWZDBMQPYQKL-UHFFFAOYSA-N
XLogP1.41
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(5-methylpyrazin-2-yl)-(3-phenyltriazol-4-yl)methanamine
CID 105184416
(3-bromo-2-methylphenyl)-(3-phenyltriazol-4-yl)methanamine
CID 105043263
(2-iodophenyl)-(3-phenyltriazol-4-yl)methanamine
CID 105043267
(4-bromophenyl)-(3-phenyltriazol-4-yl)methanamine
CID 114686892
(5-fluoro-2-pyridinyl)-(3-phenyltriazol-4-yl)methanamine
CID 114688571
(3-chloro-2-pyridinyl)-(3-phenyltriazol-4-yl)methanamine
CID 103443749
(2,2-dimethylcyclopropyl)-(3-phenyltriazol-4-yl)methanamine
CID 107005033
(5-ethylfuran-2-yl)-(3-phenyltriazol-4-yl)methanamine
CID 105043201
2-methoxy-1-(3-phenyltriazol-4-yl)propan-1-amine
CID 114688531
2-phenoxy-1-(3-phenyltriazol-4-yl)ethanamine
CID 114687525
(3-methoxy-4-pyridinyl)-(3-phenyltriazol-4-yl)methanamine
CID 105066080
(2,5-dichlorothiophen-3-yl)-(3-phenyltriazol-4-yl)methanamine
CID 107969139

Frequently Asked Questions

What is the IUPAC name of (5-methylpyrimidin-2-yl)-(3-phenyltriazol-4-yl)methanamine?
The IUPAC name of (5-methylpyrimidin-2-yl)-(3-phenyltriazol-4-yl)methanamine (CID 114688939) is (5-methylpyrimidin-2-yl)-(3-phenyltriazol-4-yl)methanamine.
What is the SMILES notation for (5-methylpyrimidin-2-yl)-(3-phenyltriazol-4-yl)methanamine?
The canonical SMILES for (5-methylpyrimidin-2-yl)-(3-phenyltriazol-4-yl)methanamine is Cc1cnc(C(N)c2cnnn2-c2ccccc2)nc1.
What is the InChIKey of (5-methylpyrimidin-2-yl)-(3-phenyltriazol-4-yl)methanamine?
The InChIKey is JJBWZDBMQPYQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6/c1-10-7-16-14(17-8-10)13(15)12-9-18-19-20(12)11-5-3-2-4-6-11/h2-9,13H,15H2,1H3.
What are the key properties of (5-methylpyrimidin-2-yl)-(3-phenyltriazol-4-yl)methanamine?
(5-methylpyrimidin-2-yl)-(3-phenyltriazol-4-yl)methanamine has a molecular weight of 266.31 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylpyrimidin-2-yl)-(3-phenyltriazol-4-yl)methanamine is sourced from PubChem (CID 114688939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).