2-[1-(4-methyl-1,2,4-triazol-3-yl)cyclopropyl]aniline

C12H14N4 — CID 175734591

IUPAC2-[1-(4-methyl-1,2,4-triazol-3-yl)cyclopropyl]aniline
SMILESCn1cnnc1C1(c2ccccc2N)CC1
InChIInChI=1S/C12H14N4/c1-16-8-14-15-11(16)12(6-7-12)9-4-2-3-5-10(9)13/h2-5,8H,6-7,13H2,1H3
InChIKeyURJJPDIPJBLGDG-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.48
Rot. Bonds2

About 2-[1-(4-methyl-1,2,4-triazol-3-yl)cyclopropyl]aniline

2-[1-(4-methyl-1,2,4-triazol-3-yl)cyclopropyl]aniline (PubChem CID 175734591) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is 2-[1-(4-methyl-1,2,4-triazol-3-yl)cyclopropyl]aniline.

Molecular Properties

Compound Name2-[1-(4-methyl-1,2,4-triazol-3-yl)cyclopropyl]aniline
PubChem CID175734591
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC Name2-[1-(4-methyl-1,2,4-triazol-3-yl)cyclopropyl]aniline
SMILESCn1cnnc1C1(c2ccccc2N)CC1
InChIInChI=1S/C12H14N4/c1-16-8-14-15-11(16)12(6-7-12)9-4-2-3-5-10(9)13/h2-5,8H,6-7,13H2,1H3
InChIKeyURJJPDIPJBLGDG-UHFFFAOYSA-N
XLogP1.48
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methyl-1,2,4-triazol-3-yl)cyclopropyl]aniline?
The IUPAC name of 2-[1-(4-methyl-1,2,4-triazol-3-yl)cyclopropyl]aniline (CID 175734591) is 2-[1-(4-methyl-1,2,4-triazol-3-yl)cyclopropyl]aniline.
What is the SMILES notation for 2-[1-(4-methyl-1,2,4-triazol-3-yl)cyclopropyl]aniline?
The canonical SMILES for 2-[1-(4-methyl-1,2,4-triazol-3-yl)cyclopropyl]aniline is Cn1cnnc1C1(c2ccccc2N)CC1.
What is the InChIKey of 2-[1-(4-methyl-1,2,4-triazol-3-yl)cyclopropyl]aniline?
The InChIKey is URJJPDIPJBLGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4/c1-16-8-14-15-11(16)12(6-7-12)9-4-2-3-5-10(9)13/h2-5,8H,6-7,13H2,1H3.
What are the key properties of 2-[1-(4-methyl-1,2,4-triazol-3-yl)cyclopropyl]aniline?
2-[1-(4-methyl-1,2,4-triazol-3-yl)cyclopropyl]aniline has a molecular weight of 214.27 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methyl-1,2,4-triazol-3-yl)cyclopropyl]aniline is sourced from PubChem (CID 175734591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).