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

C16H20N4 — CID 43738680

IUPACN-(dicyclopropylmethyl)-3-(4-methyl-1,2,4-triazol-3-yl)aniline
SMILESCn1cnnc1-c1cccc(NC(C2CC2)C2CC2)c1
InChIInChI=1S/C16H20N4/c1-20-10-17-19-16(20)13-3-2-4-14(9-13)18-15(11-5-6-11)12-7-8-12/h2-4,9-12,15,18H,5-8H2,1H3
InChIKeyQZMJYOSRFQIXML-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.08
Rot. Bonds5

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

N-(dicyclopropylmethyl)-3-(4-methyl-1,2,4-triazol-3-yl)aniline (PubChem CID 43738680) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-3-(4-methyl-1,2,4-triazol-3-yl)aniline.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-3-(4-methyl-1,2,4-triazol-3-yl)aniline
PubChem CID43738680
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC NameN-(dicyclopropylmethyl)-3-(4-methyl-1,2,4-triazol-3-yl)aniline
SMILESCn1cnnc1-c1cccc(NC(C2CC2)C2CC2)c1
InChIInChI=1S/C16H20N4/c1-20-10-17-19-16(20)13-3-2-4-14(9-13)18-15(11-5-6-11)12-7-8-12/h2-4,9-12,15,18H,5-8H2,1H3
InChIKeyQZMJYOSRFQIXML-UHFFFAOYSA-N
XLogP3.08
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyclopentylethyl)-3-(4-methyl-1,2,4-triazol-3-yl)aniline
CID 62634097
N-(3-methylbutan-2-yl)-3-(4-methyl-1,2,4-triazol-3-yl)aniline
CID 43738672
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-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-(2,2-dimethylpropyl)-3-(4-methyl-1,2,4-triazol-3-yl)aniline
CID 61326180
1-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]cyclohexane-1,3-diamine
CID 79458662
N-[1-(5-chlorothiophen-2-yl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)aniline
CID 43738659
1-cyclohexyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]piperidin-4-amine
CID 75472388
N-(dicyclopropylmethyl)-3-(1,2,4-triazol-4-yl)aniline
CID 43692010
2-bromo-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]propanamide
CID 114014321
3-(4-methyl-1,2,4-triazol-3-yl)-N-(2,4,4-trimethylcyclopentyl)aniline
CID 106662157

Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-3-(4-methyl-1,2,4-triazol-3-yl)aniline?
The IUPAC name of N-(dicyclopropylmethyl)-3-(4-methyl-1,2,4-triazol-3-yl)aniline (CID 43738680) is N-(dicyclopropylmethyl)-3-(4-methyl-1,2,4-triazol-3-yl)aniline.
What is the SMILES notation for N-(dicyclopropylmethyl)-3-(4-methyl-1,2,4-triazol-3-yl)aniline?
The canonical SMILES for N-(dicyclopropylmethyl)-3-(4-methyl-1,2,4-triazol-3-yl)aniline is Cn1cnnc1-c1cccc(NC(C2CC2)C2CC2)c1.
What is the InChIKey of N-(dicyclopropylmethyl)-3-(4-methyl-1,2,4-triazol-3-yl)aniline?
The InChIKey is QZMJYOSRFQIXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-20-10-17-19-16(20)13-3-2-4-14(9-13)18-15(11-5-6-11)12-7-8-12/h2-4,9-12,15,18H,5-8H2,1H3.
What are the key properties of N-(dicyclopropylmethyl)-3-(4-methyl-1,2,4-triazol-3-yl)aniline?
N-(dicyclopropylmethyl)-3-(4-methyl-1,2,4-triazol-3-yl)aniline has a molecular weight of 268.36 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-3-(4-methyl-1,2,4-triazol-3-yl)aniline is sourced from PubChem (CID 43738680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).