N,4-dimethyl-N-phenyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-amine

C19H20N4 — CID 59216089

IUPACN,4-dimethyl-N-phenyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-amine
SMILESCN(c1ccccc1)c1nnc(C2(c3ccccc3)CC2)n1C
InChIInChI=1S/C19H20N4/c1-22(16-11-7-4-8-12-16)18-21-20-17(23(18)2)19(13-14-19)15-9-5-3-6-10-15/h3-12H,13-14H2,1-2H3
InChIKeyDRGSHWQLWLFLBB-UHFFFAOYSA-N
MW304.40 g/mol
LogP3.66
Rot. Bonds4

About N,4-dimethyl-N-phenyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-amine

N,4-dimethyl-N-phenyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-amine (PubChem CID 59216089) has the molecular formula C19H20N4 and a molecular weight of 304.40 g/mol. Its IUPAC name is N,4-dimethyl-N-phenyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN,4-dimethyl-N-phenyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-amine
PubChem CID59216089
Molecular FormulaC19H20N4
Molecular Weight304.40 g/mol
Exact Mass304.17
IUPAC NameN,4-dimethyl-N-phenyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-amine
SMILESCN(c1ccccc1)c1nnc(C2(c3ccccc3)CC2)n1C
InChIInChI=1S/C19H20N4/c1-22(16-11-7-4-8-12-16)18-21-20-17(23(18)2)19(13-14-19)15-9-5-3-6-10-15/h3-12H,13-14H2,1-2H3
InChIKeyDRGSHWQLWLFLBB-UHFFFAOYSA-N
XLogP3.66
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-phenyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-amine?
The IUPAC name of N,4-dimethyl-N-phenyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-amine (CID 59216089) is N,4-dimethyl-N-phenyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-amine.
What is the SMILES notation for N,4-dimethyl-N-phenyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-amine?
The canonical SMILES for N,4-dimethyl-N-phenyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-amine is CN(c1ccccc1)c1nnc(C2(c3ccccc3)CC2)n1C.
What is the InChIKey of N,4-dimethyl-N-phenyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-amine?
The InChIKey is DRGSHWQLWLFLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4/c1-22(16-11-7-4-8-12-16)18-21-20-17(23(18)2)19(13-14-19)15-9-5-3-6-10-15/h3-12H,13-14H2,1-2H3.
What are the key properties of N,4-dimethyl-N-phenyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-amine?
N,4-dimethyl-N-phenyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-amine has a molecular weight of 304.40 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-phenyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 59216089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).