2,5-dimethyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-1,2,4-triazol-3-amine

C15H18N6 — CID 86795197

IUPAC2,5-dimethyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-1,2,4-triazol-3-amine
SMILESCc1nc(NCc2cn(-c3ccccc3)nc2C)n(C)n1
InChIInChI=1S/C15H18N6/c1-11-13(9-16-15-17-12(2)19-20(15)3)10-21(18-11)14-7-5-4-6-8-14/h4-8,10H,9H2,1-3H3,(H,16,17,19)
InChIKeyFFPMOCKSOWELQY-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.23
Rot. Bonds4

About 2,5-dimethyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-1,2,4-triazol-3-amine

2,5-dimethyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-1,2,4-triazol-3-amine (PubChem CID 86795197) has the molecular formula C15H18N6 and a molecular weight of 282.35 g/mol. Its IUPAC name is 2,5-dimethyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name2,5-dimethyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-1,2,4-triazol-3-amine
PubChem CID86795197
Molecular FormulaC15H18N6
Molecular Weight282.35 g/mol
Exact Mass282.16
IUPAC Name2,5-dimethyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-1,2,4-triazol-3-amine
SMILESCc1nc(NCc2cn(-c3ccccc3)nc2C)n(C)n1
InChIInChI=1S/C15H18N6/c1-11-13(9-16-15-17-12(2)19-20(15)3)10-21(18-11)14-7-5-4-6-8-14/h4-8,10H,9H2,1-3H3,(H,16,17,19)
InChIKeyFFPMOCKSOWELQY-UHFFFAOYSA-N
XLogP2.23
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-Amino-1-phenylpyrazolo(3,4-d)pyrimidine
CID 4879
N-cyclopentyl-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 3813473
N-benzyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 743063
(6-Ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-p-tolyl-amine
CID 1429569
N-methyl-4-phenyl-5-(1-phenyltetrazol-5-yl)pyrimidin-2-amine
CID 2801975
US9670208, Example 115
CID 118216704
4-(4-benzyl-5-methyl-4H-1,2,4-triazol-3-yl)-1-methyl-1H-pyrazol-5-ylamine
CID 1481702
N-butyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 219760
N-tert-butyl-1-phenyl-4-pyrazolo[3,4-d]pyrimidinamine
CID 711507
3-ethyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 11484301
3-(1-methyl-1H-pyrazol-4-yl)-6-phenyl-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16224163
2-[4-(3,5-Dibutyl-[1,2,4]triazol-1-ylmethyl)-phenyl]-3-(1H-tetrazol-5-yl)-pyridine
CID 19976416

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-1,2,4-triazol-3-amine?
The IUPAC name of 2,5-dimethyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-1,2,4-triazol-3-amine (CID 86795197) is 2,5-dimethyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-1,2,4-triazol-3-amine.
What is the SMILES notation for 2,5-dimethyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-1,2,4-triazol-3-amine?
The canonical SMILES for 2,5-dimethyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-1,2,4-triazol-3-amine is Cc1nc(NCc2cn(-c3ccccc3)nc2C)n(C)n1.
What is the InChIKey of 2,5-dimethyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-1,2,4-triazol-3-amine?
The InChIKey is FFPMOCKSOWELQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6/c1-11-13(9-16-15-17-12(2)19-20(15)3)10-21(18-11)14-7-5-4-6-8-14/h4-8,10H,9H2,1-3H3,(H,16,17,19).
What are the key properties of 2,5-dimethyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-1,2,4-triazol-3-amine?
2,5-dimethyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-1,2,4-triazol-3-amine has a molecular weight of 282.35 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-1,2,4-triazol-3-amine is sourced from PubChem (CID 86795197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).