N-(3-chlorophenyl)-6-[5-[3-(1,2,4-triazol-1-yl)propylamino]-3-pyridinyl]pyrazin-2-amine

C20H19ClN8 — CID 5330392

IUPACN-(3-chlorophenyl)-6-[5-[3-(1,2,4-triazol-1-yl)propylamino]-3-pyridinyl]pyrazin-2-amine
SMILESClc1cccc(Nc2cncc(-c3cncc(NCCCn4cncn4)c3)n2)c1
InChIInChI=1S/C20H19ClN8/c21-16-3-1-4-17(8-16)27-20-12-23-11-19(28-20)15-7-18(10-22-9-15)25-5-2-6-29-14-24-13-26-29/h1,3-4,7-14,25H,2,5-6H2,(H,27,28)
InChIKeyQGAMKOCDVQJIEP-UHFFFAOYSA-N
MW406.88 g/mol
LogP4.03
Rot. Bonds8

About N-(3-chlorophenyl)-6-[5-[3-(1,2,4-triazol-1-yl)propylamino]-3-pyridinyl]pyrazin-2-amine

N-(3-chlorophenyl)-6-[5-[3-(1,2,4-triazol-1-yl)propylamino]-3-pyridinyl]pyrazin-2-amine (PubChem CID 5330392) has the molecular formula C20H19ClN8 and a molecular weight of 406.88 g/mol. Its IUPAC name is N-(3-chlorophenyl)-6-[5-[3-(1,2,4-triazol-1-yl)propylamino]-3-pyridinyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-6-[5-[3-(1,2,4-triazol-1-yl)propylamino]-3-pyridinyl]pyrazin-2-amine
PubChem CID5330392
Molecular FormulaC20H19ClN8
Molecular Weight406.88 g/mol
Exact Mass406.14
IUPAC NameN-(3-chlorophenyl)-6-[5-[3-(1,2,4-triazol-1-yl)propylamino]-3-pyridinyl]pyrazin-2-amine
SMILESClc1cccc(Nc2cncc(-c3cncc(NCCCn4cncn4)c3)n2)c1
InChIInChI=1S/C20H19ClN8/c21-16-3-1-4-17(8-16)27-20-12-23-11-19(28-20)15-7-18(10-22-9-15)25-5-2-6-29-14-24-13-26-29/h1,3-4,7-14,25H,2,5-6H2,(H,27,28)
InChIKeyQGAMKOCDVQJIEP-UHFFFAOYSA-N
XLogP4.03
TPSA93.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.88
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-6-[5-[3-(1,2,4-triazol-1-yl)propylamino]-3-pyridinyl]pyrazin-2-amine?
The IUPAC name of N-(3-chlorophenyl)-6-[5-[3-(1,2,4-triazol-1-yl)propylamino]-3-pyridinyl]pyrazin-2-amine (CID 5330392) is N-(3-chlorophenyl)-6-[5-[3-(1,2,4-triazol-1-yl)propylamino]-3-pyridinyl]pyrazin-2-amine.
What is the SMILES notation for N-(3-chlorophenyl)-6-[5-[3-(1,2,4-triazol-1-yl)propylamino]-3-pyridinyl]pyrazin-2-amine?
The canonical SMILES for N-(3-chlorophenyl)-6-[5-[3-(1,2,4-triazol-1-yl)propylamino]-3-pyridinyl]pyrazin-2-amine is Clc1cccc(Nc2cncc(-c3cncc(NCCCn4cncn4)c3)n2)c1.
What is the InChIKey of N-(3-chlorophenyl)-6-[5-[3-(1,2,4-triazol-1-yl)propylamino]-3-pyridinyl]pyrazin-2-amine?
The InChIKey is QGAMKOCDVQJIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN8/c21-16-3-1-4-17(8-16)27-20-12-23-11-19(28-20)15-7-18(10-22-9-15)25-5-2-6-29-14-24-13-26-29/h1,3-4,7-14,25H,2,5-6H2,(H,27,28).
What are the key properties of N-(3-chlorophenyl)-6-[5-[3-(1,2,4-triazol-1-yl)propylamino]-3-pyridinyl]pyrazin-2-amine?
N-(3-chlorophenyl)-6-[5-[3-(1,2,4-triazol-1-yl)propylamino]-3-pyridinyl]pyrazin-2-amine has a molecular weight of 406.88 g/mol, XLogP of 4.03, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-6-[5-[3-(1,2,4-triazol-1-yl)propylamino]-3-pyridinyl]pyrazin-2-amine is sourced from PubChem (CID 5330392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).