N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(1,2,4-triazol-1-ylmethyl)aniline

C15H18N6 — CID 43673416

IUPACN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(1,2,4-triazol-1-ylmethyl)aniline
SMILESCc1n[nH]c(C)c1CNc1ccc(Cn2cncn2)cc1
InChIInChI=1S/C15H18N6/c1-11-15(12(2)20-19-11)7-17-14-5-3-13(4-6-14)8-21-10-16-9-18-21/h3-6,9-10,17H,7-8H2,1-2H3,(H,19,20)
InChIKeyGLRHTACPVJBCKI-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.28
Rot. Bonds5

About N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(1,2,4-triazol-1-ylmethyl)aniline

N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(1,2,4-triazol-1-ylmethyl)aniline (PubChem CID 43673416) has the molecular formula C15H18N6 and a molecular weight of 282.35 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(1,2,4-triazol-1-ylmethyl)aniline.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(1,2,4-triazol-1-ylmethyl)aniline
PubChem CID43673416
Molecular FormulaC15H18N6
Molecular Weight282.35 g/mol
Exact Mass282.16
IUPAC NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(1,2,4-triazol-1-ylmethyl)aniline
SMILESCc1n[nH]c(C)c1CNc1ccc(Cn2cncn2)cc1
InChIInChI=1S/C15H18N6/c1-11-15(12(2)20-19-11)7-17-14-5-3-13(4-6-14)8-21-10-16-9-18-21/h3-6,9-10,17H,7-8H2,1-2H3,(H,19,20)
InChIKeyGLRHTACPVJBCKI-UHFFFAOYSA-N
XLogP2.28
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(6-Ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-p-tolyl-amine
CID 1429569
6-(3,5-Dimethyl-1H-pyrazol-1-yl)-N-(p-tolyl)pyrimidin-4-amine
CID 791111
N-((3-(4-Fluorophenyl)-1-(p-tolyl)-1H-pyrazol-4-yl)methyl)-1-(1H-1,2,4-triazol-1-yl)propan-2-amine
CID 16190725
(5-Propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-p-tolyl-amine
CID 1429571
N-[(1E)-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene]-4H-1,2,4-triazol-4-amine
CID 9559317
3-(3,5-dimethyl-1H-pyrazol-1-yl)-N-[(1E)-(2-fluorophenyl)methylene]-4H-1,2,4-triazol-4-amine
CID 9555299
N-(5-methyl-1H-pyrazol-3-yl)-2-phenylpyrimidin-4-amine
CID 9964914
2-N-[4-(2-aminoethyl)phenyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methylpyrimidine-2,4-diamine
CID 59757837
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-2-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]pyrimidine-2,4-diamine
CID 59757883
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-2-N-[4-[2-(methylamino)ethyl]phenyl]pyrimidine-2,4-diamine
CID 59757895
1-(3-phenyl-1H-pyrazol-4-yl)-1H-1,2,4-triazole
CID 2764812
2-N-(2-methylphenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 141443854

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(1,2,4-triazol-1-ylmethyl)aniline?
The IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(1,2,4-triazol-1-ylmethyl)aniline (CID 43673416) is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(1,2,4-triazol-1-ylmethyl)aniline.
What is the SMILES notation for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(1,2,4-triazol-1-ylmethyl)aniline?
The canonical SMILES for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(1,2,4-triazol-1-ylmethyl)aniline is Cc1n[nH]c(C)c1CNc1ccc(Cn2cncn2)cc1.
What is the InChIKey of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(1,2,4-triazol-1-ylmethyl)aniline?
The InChIKey is GLRHTACPVJBCKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6/c1-11-15(12(2)20-19-11)7-17-14-5-3-13(4-6-14)8-21-10-16-9-18-21/h3-6,9-10,17H,7-8H2,1-2H3,(H,19,20).
What are the key properties of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(1,2,4-triazol-1-ylmethyl)aniline?
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(1,2,4-triazol-1-ylmethyl)aniline has a molecular weight of 282.35 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(1,2,4-triazol-1-ylmethyl)aniline is sourced from PubChem (CID 43673416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).