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

C15H20N4 — CID 112596825

IUPACN,4-diethyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-amine
SMILESCCNc1nnc(C2(c3ccccc3)CC2)n1CC
InChIInChI=1S/C15H20N4/c1-3-16-14-18-17-13(19(14)4-2)15(10-11-15)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3,(H,16,18)
InChIKeyAWVOTKPOSLLYKT-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.81
Rot. Bonds5

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

N,4-diethyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-amine (PubChem CID 112596825) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is N,4-diethyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN,4-diethyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-amine
PubChem CID112596825
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC NameN,4-diethyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-amine
SMILESCCNc1nnc(C2(c3ccccc3)CC2)n1CC
InChIInChI=1S/C15H20N4/c1-3-16-14-18-17-13(19(14)4-2)15(10-11-15)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3,(H,16,18)
InChIKeyAWVOTKPOSLLYKT-UHFFFAOYSA-N
XLogP2.81
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,4-diethyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-amine?
The IUPAC name of N,4-diethyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-amine (CID 112596825) is N,4-diethyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-amine.
What is the SMILES notation for N,4-diethyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-amine?
The canonical SMILES for N,4-diethyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-amine is CCNc1nnc(C2(c3ccccc3)CC2)n1CC.
What is the InChIKey of N,4-diethyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-amine?
The InChIKey is AWVOTKPOSLLYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-3-16-14-18-17-13(19(14)4-2)15(10-11-15)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3,(H,16,18).
What are the key properties of N,4-diethyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-amine?
N,4-diethyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-amine has a molecular weight of 256.35 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diethyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 112596825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).