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

C14H20N4 — CID 61326180

IUPACN-(2,2-dimethylpropyl)-3-(4-methyl-1,2,4-triazol-3-yl)aniline
SMILESCn1cnnc1-c1cccc(NCC(C)(C)C)c1
InChIInChI=1S/C14H20N4/c1-14(2,3)9-15-12-7-5-6-11(8-12)13-17-16-10-18(13)4/h5-8,10,15H,9H2,1-4H3
InChIKeyVTXVWUJXZVPVAF-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.94
Rot. Bonds3

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

N-(2,2-dimethylpropyl)-3-(4-methyl-1,2,4-triazol-3-yl)aniline (PubChem CID 61326180) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-3-(4-methyl-1,2,4-triazol-3-yl)aniline.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-3-(4-methyl-1,2,4-triazol-3-yl)aniline
PubChem CID61326180
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC NameN-(2,2-dimethylpropyl)-3-(4-methyl-1,2,4-triazol-3-yl)aniline
SMILESCn1cnnc1-c1cccc(NCC(C)(C)C)c1
InChIInChI=1S/C14H20N4/c1-14(2,3)9-15-12-7-5-6-11(8-12)13-17-16-10-18(13)4/h5-8,10,15H,9H2,1-4H3
InChIKeyVTXVWUJXZVPVAF-UHFFFAOYSA-N
XLogP2.94
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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-tert-butyl-3-(4-methyl-1,2,4-triazol-3-yl)aniline
CID 58709894
3-(4-methyl-1,2,4-triazol-3-yl)-N-(1,3-thiazol-2-ylmethyl)aniline
CID 63657022
N-[(5-methylfuran-2-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)aniline
CID 43738645
3-(4-methyl-1,2,4-triazol-3-yl)-N-(1,3-thiazol-4-ylmethyl)aniline
CID 61171409
3-(4-methyl-1,2,4-triazol-3-yl)-N-(pyrazin-2-ylmethyl)aniline
CID 62761649
N-[(2-methylpyrimidin-4-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)aniline
CID 62748416
N-(3-methylbutan-2-yl)-3-(4-methyl-1,2,4-triazol-3-yl)aniline
CID 43738672
N-[(1-ethenylpyrazol-4-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)aniline
CID 106936294
N-[(3-tert-butyl-1-phenylpyrazol-4-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)aniline
CID 99703008
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)aniline
CID 60983287
4-tert-butyl-N-[2-[3-(4-methyl-1,2,4-triazol-3-yl)anilino]-2-oxoethyl]benzamide
CID 38313833
3-(4-methyl-1,2,4-triazol-3-yl)-N-(piperidin-3-ylmethyl)aniline
CID 80554256

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-3-(4-methyl-1,2,4-triazol-3-yl)aniline?
The IUPAC name of N-(2,2-dimethylpropyl)-3-(4-methyl-1,2,4-triazol-3-yl)aniline (CID 61326180) is N-(2,2-dimethylpropyl)-3-(4-methyl-1,2,4-triazol-3-yl)aniline.
What is the SMILES notation for N-(2,2-dimethylpropyl)-3-(4-methyl-1,2,4-triazol-3-yl)aniline?
The canonical SMILES for N-(2,2-dimethylpropyl)-3-(4-methyl-1,2,4-triazol-3-yl)aniline is Cn1cnnc1-c1cccc(NCC(C)(C)C)c1.
What is the InChIKey of N-(2,2-dimethylpropyl)-3-(4-methyl-1,2,4-triazol-3-yl)aniline?
The InChIKey is VTXVWUJXZVPVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-14(2,3)9-15-12-7-5-6-11(8-12)13-17-16-10-18(13)4/h5-8,10,15H,9H2,1-4H3.
What are the key properties of N-(2,2-dimethylpropyl)-3-(4-methyl-1,2,4-triazol-3-yl)aniline?
N-(2,2-dimethylpropyl)-3-(4-methyl-1,2,4-triazol-3-yl)aniline has a molecular weight of 244.34 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-3-(4-methyl-1,2,4-triazol-3-yl)aniline is sourced from PubChem (CID 61326180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).