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

C17H21ClN6 — CID 71598389

IUPAC4-(4-benzylpiperazin-1-yl)-6-chloro-N-cyclopropyl-1,3,5-triazin-2-amine
SMILESClc1nc(NC2CC2)nc(N2CCN(Cc3ccccc3)CC2)n1
InChIInChI=1S/C17H21ClN6/c18-15-20-16(19-14-6-7-14)22-17(21-15)24-10-8-23(9-11-24)12-13-4-2-1-3-5-13/h1-5,14H,6-12H2,(H,19,20,21,22)
InChIKeyNWLGUNXWCBSWGG-UHFFFAOYSA-N
MW344.85 g/mol
LogP2.42
Rot. Bonds5

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

4-(4-benzylpiperazin-1-yl)-6-chloro-N-cyclopropyl-1,3,5-triazin-2-amine (PubChem CID 71598389) has the molecular formula C17H21ClN6 and a molecular weight of 344.85 g/mol. Its IUPAC name is 4-(4-benzylpiperazin-1-yl)-6-chloro-N-cyclopropyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(4-benzylpiperazin-1-yl)-6-chloro-N-cyclopropyl-1,3,5-triazin-2-amine
PubChem CID71598389
Molecular FormulaC17H21ClN6
Molecular Weight344.85 g/mol
Exact Mass344.15
IUPAC Name4-(4-benzylpiperazin-1-yl)-6-chloro-N-cyclopropyl-1,3,5-triazin-2-amine
SMILESClc1nc(NC2CC2)nc(N2CCN(Cc3ccccc3)CC2)n1
InChIInChI=1S/C17H21ClN6/c18-15-20-16(19-14-6-7-14)22-17(21-15)24-10-8-23(9-11-24)12-13-4-2-1-3-5-13/h1-5,14H,6-12H2,(H,19,20,21,22)
InChIKeyNWLGUNXWCBSWGG-UHFFFAOYSA-N
XLogP2.42
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.85
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperazin-1-yl)-6-chloro-N-cyclopropyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(4-benzylpiperazin-1-yl)-6-chloro-N-cyclopropyl-1,3,5-triazin-2-amine (CID 71598389) is 4-(4-benzylpiperazin-1-yl)-6-chloro-N-cyclopropyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(4-benzylpiperazin-1-yl)-6-chloro-N-cyclopropyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(4-benzylpiperazin-1-yl)-6-chloro-N-cyclopropyl-1,3,5-triazin-2-amine is Clc1nc(NC2CC2)nc(N2CCN(Cc3ccccc3)CC2)n1.
What is the InChIKey of 4-(4-benzylpiperazin-1-yl)-6-chloro-N-cyclopropyl-1,3,5-triazin-2-amine?
The InChIKey is NWLGUNXWCBSWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN6/c18-15-20-16(19-14-6-7-14)22-17(21-15)24-10-8-23(9-11-24)12-13-4-2-1-3-5-13/h1-5,14H,6-12H2,(H,19,20,21,22).
What are the key properties of 4-(4-benzylpiperazin-1-yl)-6-chloro-N-cyclopropyl-1,3,5-triazin-2-amine?
4-(4-benzylpiperazin-1-yl)-6-chloro-N-cyclopropyl-1,3,5-triazin-2-amine has a molecular weight of 344.85 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperazin-1-yl)-6-chloro-N-cyclopropyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 71598389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).