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

C14H16N6 — CID 43692024

IUPACN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(1,2,4-triazol-4-yl)aniline
SMILESCc1n[nH]c(C)c1CNc1cccc(-n2cnnc2)c1
InChIInChI=1S/C14H16N6/c1-10-14(11(2)19-18-10)7-15-12-4-3-5-13(6-12)20-8-16-17-9-20/h3-6,8-9,15H,7H2,1-2H3,(H,18,19)
InChIKeyGUHFRSJBPOJZTP-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.22
Rot. Bonds4

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

N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(1,2,4-triazol-4-yl)aniline (PubChem CID 43692024) has the molecular formula C14H16N6 and a molecular weight of 268.32 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(1,2,4-triazol-4-yl)aniline.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(1,2,4-triazol-4-yl)aniline
PubChem CID43692024
Molecular FormulaC14H16N6
Molecular Weight268.32 g/mol
Exact Mass268.14
IUPAC NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(1,2,4-triazol-4-yl)aniline
SMILESCc1n[nH]c(C)c1CNc1cccc(-n2cnnc2)c1
InChIInChI=1S/C14H16N6/c1-10-14(11(2)19-18-10)7-15-12-4-3-5-13(6-12)20-8-16-17-9-20/h3-6,8-9,15H,7H2,1-2H3,(H,18,19)
InChIKeyGUHFRSJBPOJZTP-UHFFFAOYSA-N
XLogP2.22
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(1,2,4-triazol-4-yl)aniline?
The IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(1,2,4-triazol-4-yl)aniline (CID 43692024) is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(1,2,4-triazol-4-yl)aniline.
What is the SMILES notation for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(1,2,4-triazol-4-yl)aniline?
The canonical SMILES for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(1,2,4-triazol-4-yl)aniline is Cc1n[nH]c(C)c1CNc1cccc(-n2cnnc2)c1.
What is the InChIKey of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(1,2,4-triazol-4-yl)aniline?
The InChIKey is GUHFRSJBPOJZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6/c1-10-14(11(2)19-18-10)7-15-12-4-3-5-13(6-12)20-8-16-17-9-20/h3-6,8-9,15H,7H2,1-2H3,(H,18,19).
What are the key properties of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(1,2,4-triazol-4-yl)aniline?
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(1,2,4-triazol-4-yl)aniline has a molecular weight of 268.32 g/mol, XLogP of 2.22, 4 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]-3-(1,2,4-triazol-4-yl)aniline is sourced from PubChem (CID 43692024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).