N-[4-(1-propan-2-ylpiperidin-4-yl)phenyl]-5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine

C22H26N8 — CID 135900472

IUPACN-[4-(1-propan-2-ylpiperidin-4-yl)phenyl]-5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
SMILESCC(C)N1CCC(c2ccc(Nc3ncc(-c4cn[nH]c4)n4ncnc34)cc2)CC1
InChIInChI=1S/C22H26N8/c1-15(2)29-9-7-17(8-10-29)16-3-5-19(6-4-16)28-21-22-24-14-27-30(22)20(13-23-21)18-11-25-26-12-18/h3-6,11-15,17H,7-10H2,1-2H3,(H,23,28)(H,25,26)
InChIKeyQPUFKVYPJWNWLD-UHFFFAOYSA-N
MW402.51 g/mol
LogP3.85
Rot. Bonds5

About N-[4-(1-propan-2-ylpiperidin-4-yl)phenyl]-5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine

N-[4-(1-propan-2-ylpiperidin-4-yl)phenyl]-5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine (PubChem CID 135900472) has the molecular formula C22H26N8 and a molecular weight of 402.51 g/mol. Its IUPAC name is N-[4-(1-propan-2-ylpiperidin-4-yl)phenyl]-5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound NameN-[4-(1-propan-2-ylpiperidin-4-yl)phenyl]-5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
PubChem CID135900472
Molecular FormulaC22H26N8
Molecular Weight402.51 g/mol
Exact Mass402.23
IUPAC NameN-[4-(1-propan-2-ylpiperidin-4-yl)phenyl]-5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
SMILESCC(C)N1CCC(c2ccc(Nc3ncc(-c4cn[nH]c4)n4ncnc34)cc2)CC1
InChIInChI=1S/C22H26N8/c1-15(2)29-9-7-17(8-10-29)16-3-5-19(6-4-16)28-21-22-24-14-27-30(22)20(13-23-21)18-11-25-26-12-18/h3-6,11-15,17H,7-10H2,1-2H3,(H,23,28)(H,25,26)
InChIKeyQPUFKVYPJWNWLD-UHFFFAOYSA-N
XLogP3.85
TPSA87.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.51
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1-propan-2-ylpiperidin-4-yl)phenyl]-5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?
The IUPAC name of N-[4-(1-propan-2-ylpiperidin-4-yl)phenyl]-5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine (CID 135900472) is N-[4-(1-propan-2-ylpiperidin-4-yl)phenyl]-5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for N-[4-(1-propan-2-ylpiperidin-4-yl)phenyl]-5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?
The canonical SMILES for N-[4-(1-propan-2-ylpiperidin-4-yl)phenyl]-5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine is CC(C)N1CCC(c2ccc(Nc3ncc(-c4cn[nH]c4)n4ncnc34)cc2)CC1.
What is the InChIKey of N-[4-(1-propan-2-ylpiperidin-4-yl)phenyl]-5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?
The InChIKey is QPUFKVYPJWNWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N8/c1-15(2)29-9-7-17(8-10-29)16-3-5-19(6-4-16)28-21-22-24-14-27-30(22)20(13-23-21)18-11-25-26-12-18/h3-6,11-15,17H,7-10H2,1-2H3,(H,23,28)(H,25,26).
What are the key properties of N-[4-(1-propan-2-ylpiperidin-4-yl)phenyl]-5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?
N-[4-(1-propan-2-ylpiperidin-4-yl)phenyl]-5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine has a molecular weight of 402.51 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-propan-2-ylpiperidin-4-yl)phenyl]-5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 135900472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).