N-(3-methylbutan-2-yl)-3-(4-methyl-1,2,4-triazol-3-yl)aniline

C14H20N4 — CID 43738672

IUPACN-(3-methylbutan-2-yl)-3-(4-methyl-1,2,4-triazol-3-yl)aniline
SMILESCC(C)C(C)Nc1cccc(-c2nncn2C)c1
InChIInChI=1S/C14H20N4/c1-10(2)11(3)16-13-7-5-6-12(8-13)14-17-15-9-18(14)4/h5-11,16H,1-4H3
InChIKeyUMJJFZUSWLOYFR-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.94
Rot. Bonds4

About N-(3-methylbutan-2-yl)-3-(4-methyl-1,2,4-triazol-3-yl)aniline

N-(3-methylbutan-2-yl)-3-(4-methyl-1,2,4-triazol-3-yl)aniline (PubChem CID 43738672) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is N-(3-methylbutan-2-yl)-3-(4-methyl-1,2,4-triazol-3-yl)aniline.

Molecular Properties

Compound NameN-(3-methylbutan-2-yl)-3-(4-methyl-1,2,4-triazol-3-yl)aniline
PubChem CID43738672
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC NameN-(3-methylbutan-2-yl)-3-(4-methyl-1,2,4-triazol-3-yl)aniline
SMILESCC(C)C(C)Nc1cccc(-c2nncn2C)c1
InChIInChI=1S/C14H20N4/c1-10(2)11(3)16-13-7-5-6-12(8-13)14-17-15-9-18(14)4/h5-11,16H,1-4H3
InChIKeyUMJJFZUSWLOYFR-UHFFFAOYSA-N
XLogP2.94
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(dicyclopropylmethyl)-3-(4-methyl-1,2,4-triazol-3-yl)aniline
CID 43738680
N-(1-cyclopentylethyl)-3-(4-methyl-1,2,4-triazol-3-yl)aniline
CID 62634097
3-(4-methyl-1,2,4-triazol-3-yl)-N-(1-thiophen-2-ylethyl)aniline
CID 43738674
N-[1-(2-methylpyrazol-3-yl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)aniline
CID 106757445
N-tert-butyl-3-(4-methyl-1,2,4-triazol-3-yl)aniline
CID 58709894
N-[1-(5-chlorothiophen-2-yl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)aniline
CID 43738659
2-bromo-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]propanamide
CID 114014321
N-(2,2-dimethylpropyl)-3-(4-methyl-1,2,4-triazol-3-yl)aniline
CID 61326180
2-amino-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]propanamide;hydrochloride
CID 119293663
N-(3-methylbutan-2-yl)-3-(1,3,4-oxadiazol-2-yl)aniline
CID 43206454
4-hydroxy-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pentanamide
CID 79204969
4-amino-2-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide
CID 80542568

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutan-2-yl)-3-(4-methyl-1,2,4-triazol-3-yl)aniline?
The IUPAC name of N-(3-methylbutan-2-yl)-3-(4-methyl-1,2,4-triazol-3-yl)aniline (CID 43738672) is N-(3-methylbutan-2-yl)-3-(4-methyl-1,2,4-triazol-3-yl)aniline.
What is the SMILES notation for N-(3-methylbutan-2-yl)-3-(4-methyl-1,2,4-triazol-3-yl)aniline?
The canonical SMILES for N-(3-methylbutan-2-yl)-3-(4-methyl-1,2,4-triazol-3-yl)aniline is CC(C)C(C)Nc1cccc(-c2nncn2C)c1.
What is the InChIKey of N-(3-methylbutan-2-yl)-3-(4-methyl-1,2,4-triazol-3-yl)aniline?
The InChIKey is UMJJFZUSWLOYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-10(2)11(3)16-13-7-5-6-12(8-13)14-17-15-9-18(14)4/h5-11,16H,1-4H3.
What are the key properties of N-(3-methylbutan-2-yl)-3-(4-methyl-1,2,4-triazol-3-yl)aniline?
N-(3-methylbutan-2-yl)-3-(4-methyl-1,2,4-triazol-3-yl)aniline has a molecular weight of 244.34 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutan-2-yl)-3-(4-methyl-1,2,4-triazol-3-yl)aniline is sourced from PubChem (CID 43738672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).