N-[(3-methyltriazol-4-yl)methyl]-1-(2-pyrazol-1-ylphenyl)methanamine

C14H16N6 — CID 115682527

IUPACN-[(3-methyltriazol-4-yl)methyl]-1-(2-pyrazol-1-ylphenyl)methanamine
SMILESCn1nncc1CNCc1ccccc1-n1cccn1
InChIInChI=1S/C14H16N6/c1-19-13(11-16-18-19)10-15-9-12-5-2-3-6-14(12)20-8-4-7-17-20/h2-8,11,15H,9-10H2,1H3
InChIKeyMMFFTWABLNYOBF-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.29
Rot. Bonds5

About N-[(3-methyltriazol-4-yl)methyl]-1-(2-pyrazol-1-ylphenyl)methanamine

N-[(3-methyltriazol-4-yl)methyl]-1-(2-pyrazol-1-ylphenyl)methanamine (PubChem CID 115682527) has the molecular formula C14H16N6 and a molecular weight of 268.32 g/mol. Its IUPAC name is N-[(3-methyltriazol-4-yl)methyl]-1-(2-pyrazol-1-ylphenyl)methanamine.

Molecular Properties

Compound NameN-[(3-methyltriazol-4-yl)methyl]-1-(2-pyrazol-1-ylphenyl)methanamine
PubChem CID115682527
Molecular FormulaC14H16N6
Molecular Weight268.32 g/mol
Exact Mass268.14
IUPAC NameN-[(3-methyltriazol-4-yl)methyl]-1-(2-pyrazol-1-ylphenyl)methanamine
SMILESCn1nncc1CNCc1ccccc1-n1cccn1
InChIInChI=1S/C14H16N6/c1-19-13(11-16-18-19)10-15-9-12-5-2-3-6-14(12)20-8-4-7-17-20/h2-8,11,15H,9-10H2,1H3
InChIKeyMMFFTWABLNYOBF-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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Frequently Asked Questions

What is the IUPAC name of N-[(3-methyltriazol-4-yl)methyl]-1-(2-pyrazol-1-ylphenyl)methanamine?
The IUPAC name of N-[(3-methyltriazol-4-yl)methyl]-1-(2-pyrazol-1-ylphenyl)methanamine (CID 115682527) is N-[(3-methyltriazol-4-yl)methyl]-1-(2-pyrazol-1-ylphenyl)methanamine.
What is the SMILES notation for N-[(3-methyltriazol-4-yl)methyl]-1-(2-pyrazol-1-ylphenyl)methanamine?
The canonical SMILES for N-[(3-methyltriazol-4-yl)methyl]-1-(2-pyrazol-1-ylphenyl)methanamine is Cn1nncc1CNCc1ccccc1-n1cccn1.
What is the InChIKey of N-[(3-methyltriazol-4-yl)methyl]-1-(2-pyrazol-1-ylphenyl)methanamine?
The InChIKey is MMFFTWABLNYOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6/c1-19-13(11-16-18-19)10-15-9-12-5-2-3-6-14(12)20-8-4-7-17-20/h2-8,11,15H,9-10H2,1H3.
What are the key properties of N-[(3-methyltriazol-4-yl)methyl]-1-(2-pyrazol-1-ylphenyl)methanamine?
N-[(3-methyltriazol-4-yl)methyl]-1-(2-pyrazol-1-ylphenyl)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 N-[(3-methyltriazol-4-yl)methyl]-1-(2-pyrazol-1-ylphenyl)methanamine is sourced from PubChem (CID 115682527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).