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

C12H14N4 — CID 43692027

IUPACN-(cyclopropylmethyl)-3-(1,2,4-triazol-4-yl)aniline
SMILESc1cc(NCC2CC2)cc(-n2cnnc2)c1
InChIInChI=1S/C12H14N4/c1-2-11(13-7-10-4-5-10)6-12(3-1)16-8-14-15-9-16/h1-3,6,8-10,13H,4-5,7H2
InChIKeyPRLQFRMCMNTXEC-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.09
Rot. Bonds4

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

N-(cyclopropylmethyl)-3-(1,2,4-triazol-4-yl)aniline (PubChem CID 43692027) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3-(1,2,4-triazol-4-yl)aniline.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3-(1,2,4-triazol-4-yl)aniline
PubChem CID43692027
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC NameN-(cyclopropylmethyl)-3-(1,2,4-triazol-4-yl)aniline
SMILESc1cc(NCC2CC2)cc(-n2cnnc2)c1
InChIInChI=1S/C12H14N4/c1-2-11(13-7-10-4-5-10)6-12(3-1)16-8-14-15-9-16/h1-3,6,8-10,13H,4-5,7H2
InChIKeyPRLQFRMCMNTXEC-UHFFFAOYSA-N
XLogP2.09
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-3-(1,2,4-triazol-4-yl)aniline?
The IUPAC name of N-(cyclopropylmethyl)-3-(1,2,4-triazol-4-yl)aniline (CID 43692027) is N-(cyclopropylmethyl)-3-(1,2,4-triazol-4-yl)aniline.
What is the SMILES notation for N-(cyclopropylmethyl)-3-(1,2,4-triazol-4-yl)aniline?
The canonical SMILES for N-(cyclopropylmethyl)-3-(1,2,4-triazol-4-yl)aniline is c1cc(NCC2CC2)cc(-n2cnnc2)c1.
What is the InChIKey of N-(cyclopropylmethyl)-3-(1,2,4-triazol-4-yl)aniline?
The InChIKey is PRLQFRMCMNTXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4/c1-2-11(13-7-10-4-5-10)6-12(3-1)16-8-14-15-9-16/h1-3,6,8-10,13H,4-5,7H2.
What are the key properties of N-(cyclopropylmethyl)-3-(1,2,4-triazol-4-yl)aniline?
N-(cyclopropylmethyl)-3-(1,2,4-triazol-4-yl)aniline has a molecular weight of 214.27 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3-(1,2,4-triazol-4-yl)aniline is sourced from PubChem (CID 43692027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).