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

C13H16N4 — CID 43707390

IUPACN-(cyclopropylmethyl)-2-(4-methyl-1,2,4-triazol-3-yl)aniline
SMILESCn1cnnc1-c1ccccc1NCC1CC1
InChIInChI=1S/C13H16N4/c1-17-9-15-16-13(17)11-4-2-3-5-12(11)14-8-10-6-7-10/h2-5,9-10,14H,6-8H2,1H3
InChIKeyYTBTXWGASPLMQO-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.30
Rot. Bonds4

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

N-(cyclopropylmethyl)-2-(4-methyl-1,2,4-triazol-3-yl)aniline (PubChem CID 43707390) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-(4-methyl-1,2,4-triazol-3-yl)aniline.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-(4-methyl-1,2,4-triazol-3-yl)aniline
PubChem CID43707390
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC NameN-(cyclopropylmethyl)-2-(4-methyl-1,2,4-triazol-3-yl)aniline
SMILESCn1cnnc1-c1ccccc1NCC1CC1
InChIInChI=1S/C13H16N4/c1-17-9-15-16-13(17)11-4-2-3-5-12(11)14-8-10-6-7-10/h2-5,9-10,14H,6-8H2,1H3
InChIKeyYTBTXWGASPLMQO-UHFFFAOYSA-N
XLogP2.30
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-(4-methyl-1,2,4-triazol-3-yl)aniline?
The IUPAC name of N-(cyclopropylmethyl)-2-(4-methyl-1,2,4-triazol-3-yl)aniline (CID 43707390) is N-(cyclopropylmethyl)-2-(4-methyl-1,2,4-triazol-3-yl)aniline.
What is the SMILES notation for N-(cyclopropylmethyl)-2-(4-methyl-1,2,4-triazol-3-yl)aniline?
The canonical SMILES for N-(cyclopropylmethyl)-2-(4-methyl-1,2,4-triazol-3-yl)aniline is Cn1cnnc1-c1ccccc1NCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-2-(4-methyl-1,2,4-triazol-3-yl)aniline?
The InChIKey is YTBTXWGASPLMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-17-9-15-16-13(17)11-4-2-3-5-12(11)14-8-10-6-7-10/h2-5,9-10,14H,6-8H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-2-(4-methyl-1,2,4-triazol-3-yl)aniline?
N-(cyclopropylmethyl)-2-(4-methyl-1,2,4-triazol-3-yl)aniline has a molecular weight of 228.30 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-(4-methyl-1,2,4-triazol-3-yl)aniline is sourced from PubChem (CID 43707390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).