4-(4-benzhydrylpiperazin-1-yl)-6-chloro-N-cyclopropyl-1,3,5-triazin-2-amine

C23H25ClN6 — CID 71598298

IUPAC4-(4-benzhydrylpiperazin-1-yl)-6-chloro-N-cyclopropyl-1,3,5-triazin-2-amine
SMILESClc1nc(NC2CC2)nc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)n1
InChIInChI=1S/C23H25ClN6/c24-21-26-22(25-19-11-12-19)28-23(27-21)30-15-13-29(14-16-30)20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,19-20H,11-16H2,(H,25,26,27,28)
InChIKeyAZVNBWIWTLDFBL-UHFFFAOYSA-N
MW420.95 g/mol
LogP4.01
Rot. Bonds6

About 4-(4-benzhydrylpiperazin-1-yl)-6-chloro-N-cyclopropyl-1,3,5-triazin-2-amine

4-(4-benzhydrylpiperazin-1-yl)-6-chloro-N-cyclopropyl-1,3,5-triazin-2-amine (PubChem CID 71598298) has the molecular formula C23H25ClN6 and a molecular weight of 420.95 g/mol. Its IUPAC name is 4-(4-benzhydrylpiperazin-1-yl)-6-chloro-N-cyclopropyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(4-benzhydrylpiperazin-1-yl)-6-chloro-N-cyclopropyl-1,3,5-triazin-2-amine
PubChem CID71598298
Molecular FormulaC23H25ClN6
Molecular Weight420.95 g/mol
Exact Mass420.18
IUPAC Name4-(4-benzhydrylpiperazin-1-yl)-6-chloro-N-cyclopropyl-1,3,5-triazin-2-amine
SMILESClc1nc(NC2CC2)nc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)n1
InChIInChI=1S/C23H25ClN6/c24-21-26-22(25-19-11-12-19)28-23(27-21)30-15-13-29(14-16-30)20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,19-20H,11-16H2,(H,25,26,27,28)
InChIKeyAZVNBWIWTLDFBL-UHFFFAOYSA-N
XLogP4.01
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.95
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-benzhydrylpiperazin-1-yl)-6-chloro-N-cyclopropyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(4-benzhydrylpiperazin-1-yl)-6-chloro-N-cyclopropyl-1,3,5-triazin-2-amine (CID 71598298) is 4-(4-benzhydrylpiperazin-1-yl)-6-chloro-N-cyclopropyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(4-benzhydrylpiperazin-1-yl)-6-chloro-N-cyclopropyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(4-benzhydrylpiperazin-1-yl)-6-chloro-N-cyclopropyl-1,3,5-triazin-2-amine is Clc1nc(NC2CC2)nc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)n1.
What is the InChIKey of 4-(4-benzhydrylpiperazin-1-yl)-6-chloro-N-cyclopropyl-1,3,5-triazin-2-amine?
The InChIKey is AZVNBWIWTLDFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN6/c24-21-26-22(25-19-11-12-19)28-23(27-21)30-15-13-29(14-16-30)20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,19-20H,11-16H2,(H,25,26,27,28).
What are the key properties of 4-(4-benzhydrylpiperazin-1-yl)-6-chloro-N-cyclopropyl-1,3,5-triazin-2-amine?
4-(4-benzhydrylpiperazin-1-yl)-6-chloro-N-cyclopropyl-1,3,5-triazin-2-amine has a molecular weight of 420.95 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzhydrylpiperazin-1-yl)-6-chloro-N-cyclopropyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 71598298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).