N-[(1-methyltriazol-4-yl)methyl]-3-(1H-pyrazol-5-yl)aniline

C13H14N6 — CID 62755251

IUPACN-[(1-methyltriazol-4-yl)methyl]-3-(1H-pyrazol-5-yl)aniline
SMILESCn1cc(CNc2cccc(-c3ccn[nH]3)c2)nn1
InChIInChI=1S/C13H14N6/c1-19-9-12(16-18-19)8-14-11-4-2-3-10(7-11)13-5-6-15-17-13/h2-7,9,14H,8H2,1H3,(H,15,17)
InChIKeyLMYISPVMKIEZBK-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.82
Rot. Bonds4

About N-[(1-methyltriazol-4-yl)methyl]-3-(1H-pyrazol-5-yl)aniline

N-[(1-methyltriazol-4-yl)methyl]-3-(1H-pyrazol-5-yl)aniline (PubChem CID 62755251) has the molecular formula C13H14N6 and a molecular weight of 254.30 g/mol. Its IUPAC name is N-[(1-methyltriazol-4-yl)methyl]-3-(1H-pyrazol-5-yl)aniline.

Molecular Properties

Compound NameN-[(1-methyltriazol-4-yl)methyl]-3-(1H-pyrazol-5-yl)aniline
PubChem CID62755251
Molecular FormulaC13H14N6
Molecular Weight254.30 g/mol
Exact Mass254.13
IUPAC NameN-[(1-methyltriazol-4-yl)methyl]-3-(1H-pyrazol-5-yl)aniline
SMILESCn1cc(CNc2cccc(-c3ccn[nH]3)c2)nn1
InChIInChI=1S/C13H14N6/c1-19-9-12(16-18-19)8-14-11-4-2-3-10(7-11)13-5-6-15-17-13/h2-7,9,14H,8H2,1H3,(H,15,17)
InChIKeyLMYISPVMKIEZBK-UHFFFAOYSA-N
XLogP1.82
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-methyltriazol-4-yl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline
CID 62756480
N-[(2-methylpyrimidin-4-yl)methyl]-3-(1H-pyrazol-5-yl)aniline
CID 62747530
N-[(5-methyl-2-pyridinyl)methyl]-3-(1H-pyrazol-5-yl)aniline
CID 81313287
[3-[(1-methyltriazol-4-yl)methylamino]phenyl]methanol
CID 62757407
N-[(1-methyltriazol-4-yl)methyl]-3-propan-2-ylaniline
CID 62756845
3-N,3-N-dimethyl-1-N-[(1-methyltriazol-4-yl)methyl]benzene-1,3-diamine
CID 113297450
N-[(2,6-dichlorophenyl)methyl]-3-(1H-pyrazol-5-yl)aniline
CID 43745380
3-[(1-methyltriazol-4-yl)methylamino]benzamide
CID 62757929
N-(2-methylpropyl)-3-(1H-pyrazol-5-yl)aniline
CID 43745359
N-[(5-ethylthiophen-2-yl)methyl]-3-(1H-pyrazol-5-yl)aniline
CID 62346092
N-[(4-methylsulfanylphenyl)methyl]-3-(1H-pyrazol-5-yl)aniline
CID 43745309
N-pentyl-3-(1H-pyrazol-5-yl)aniline
CID 43745298

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyltriazol-4-yl)methyl]-3-(1H-pyrazol-5-yl)aniline?
The IUPAC name of N-[(1-methyltriazol-4-yl)methyl]-3-(1H-pyrazol-5-yl)aniline (CID 62755251) is N-[(1-methyltriazol-4-yl)methyl]-3-(1H-pyrazol-5-yl)aniline.
What is the SMILES notation for N-[(1-methyltriazol-4-yl)methyl]-3-(1H-pyrazol-5-yl)aniline?
The canonical SMILES for N-[(1-methyltriazol-4-yl)methyl]-3-(1H-pyrazol-5-yl)aniline is Cn1cc(CNc2cccc(-c3ccn[nH]3)c2)nn1.
What is the InChIKey of N-[(1-methyltriazol-4-yl)methyl]-3-(1H-pyrazol-5-yl)aniline?
The InChIKey is LMYISPVMKIEZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6/c1-19-9-12(16-18-19)8-14-11-4-2-3-10(7-11)13-5-6-15-17-13/h2-7,9,14H,8H2,1H3,(H,15,17).
What are the key properties of N-[(1-methyltriazol-4-yl)methyl]-3-(1H-pyrazol-5-yl)aniline?
N-[(1-methyltriazol-4-yl)methyl]-3-(1H-pyrazol-5-yl)aniline has a molecular weight of 254.30 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyltriazol-4-yl)methyl]-3-(1H-pyrazol-5-yl)aniline is sourced from PubChem (CID 62755251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).