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

C15H18N4 — CID 43692010

IUPACN-(dicyclopropylmethyl)-3-(1,2,4-triazol-4-yl)aniline
SMILESc1cc(NC(C2CC2)C2CC2)cc(-n2cnnc2)c1
InChIInChI=1S/C15H18N4/c1-2-13(8-14(3-1)19-9-16-17-10-19)18-15(11-4-5-11)12-6-7-12/h1-3,8-12,15,18H,4-7H2
InChIKeySZHAPDKOHMDXCD-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.87
Rot. Bonds5

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

N-(dicyclopropylmethyl)-3-(1,2,4-triazol-4-yl)aniline (PubChem CID 43692010) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-3-(1,2,4-triazol-4-yl)aniline.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-3-(1,2,4-triazol-4-yl)aniline
PubChem CID43692010
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC NameN-(dicyclopropylmethyl)-3-(1,2,4-triazol-4-yl)aniline
SMILESc1cc(NC(C2CC2)C2CC2)cc(-n2cnnc2)c1
InChIInChI=1S/C15H18N4/c1-2-13(8-14(3-1)19-9-16-17-10-19)18-15(11-4-5-11)12-6-7-12/h1-3,8-12,15,18H,4-7H2
InChIKeySZHAPDKOHMDXCD-UHFFFAOYSA-N
XLogP2.87
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-3-(1,2,4-triazol-4-yl)aniline?
The IUPAC name of N-(dicyclopropylmethyl)-3-(1,2,4-triazol-4-yl)aniline (CID 43692010) is N-(dicyclopropylmethyl)-3-(1,2,4-triazol-4-yl)aniline.
What is the SMILES notation for N-(dicyclopropylmethyl)-3-(1,2,4-triazol-4-yl)aniline?
The canonical SMILES for N-(dicyclopropylmethyl)-3-(1,2,4-triazol-4-yl)aniline is c1cc(NC(C2CC2)C2CC2)cc(-n2cnnc2)c1.
What is the InChIKey of N-(dicyclopropylmethyl)-3-(1,2,4-triazol-4-yl)aniline?
The InChIKey is SZHAPDKOHMDXCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-2-13(8-14(3-1)19-9-16-17-10-19)18-15(11-4-5-11)12-6-7-12/h1-3,8-12,15,18H,4-7H2.
What are the key properties of N-(dicyclopropylmethyl)-3-(1,2,4-triazol-4-yl)aniline?
N-(dicyclopropylmethyl)-3-(1,2,4-triazol-4-yl)aniline has a molecular weight of 254.34 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-3-(1,2,4-triazol-4-yl)aniline is sourced from PubChem (CID 43692010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).