N-[6-(1-propan-2-ylpiperidin-4-yl)-3-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine

C21H25N9 — CID 135979645

IUPACN-[6-(1-propan-2-ylpiperidin-4-yl)-3-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
SMILESCC(C)N1CCC(c2ccc(Nc3ncc(-c4cn[nH]c4)n4ncnc34)cn2)CC1
InChIInChI=1S/C21H25N9/c1-14(2)29-7-5-15(6-8-29)18-4-3-17(11-22-18)28-20-21-24-13-27-30(21)19(12-23-20)16-9-25-26-10-16/h3-4,9-15H,5-8H2,1-2H3,(H,23,28)(H,25,26)
InChIKeyPBKBLTXWSQGWMN-UHFFFAOYSA-N
MW403.49 g/mol
LogP3.24
Rot. Bonds5

About N-[6-(1-propan-2-ylpiperidin-4-yl)-3-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine

N-[6-(1-propan-2-ylpiperidin-4-yl)-3-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine (PubChem CID 135979645) has the molecular formula C21H25N9 and a molecular weight of 403.49 g/mol. Its IUPAC name is N-[6-(1-propan-2-ylpiperidin-4-yl)-3-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound NameN-[6-(1-propan-2-ylpiperidin-4-yl)-3-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
PubChem CID135979645
Molecular FormulaC21H25N9
Molecular Weight403.49 g/mol
Exact Mass403.22
IUPAC NameN-[6-(1-propan-2-ylpiperidin-4-yl)-3-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
SMILESCC(C)N1CCC(c2ccc(Nc3ncc(-c4cn[nH]c4)n4ncnc34)cn2)CC1
InChIInChI=1S/C21H25N9/c1-14(2)29-7-5-15(6-8-29)18-4-3-17(11-22-18)28-20-21-24-13-27-30(21)19(12-23-20)16-9-25-26-10-16/h3-4,9-15H,5-8H2,1-2H3,(H,23,28)(H,25,26)
InChIKeyPBKBLTXWSQGWMN-UHFFFAOYSA-N
XLogP3.24
TPSA99.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[6-(1-propan-2-ylpiperidin-4-yl)-3-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?
The IUPAC name of N-[6-(1-propan-2-ylpiperidin-4-yl)-3-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine (CID 135979645) is N-[6-(1-propan-2-ylpiperidin-4-yl)-3-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for N-[6-(1-propan-2-ylpiperidin-4-yl)-3-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?
The canonical SMILES for N-[6-(1-propan-2-ylpiperidin-4-yl)-3-pyridinyl]-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)cn2)CC1.
What is the InChIKey of N-[6-(1-propan-2-ylpiperidin-4-yl)-3-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?
The InChIKey is PBKBLTXWSQGWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N9/c1-14(2)29-7-5-15(6-8-29)18-4-3-17(11-22-18)28-20-21-24-13-27-30(21)19(12-23-20)16-9-25-26-10-16/h3-4,9-15H,5-8H2,1-2H3,(H,23,28)(H,25,26).
What are the key properties of N-[6-(1-propan-2-ylpiperidin-4-yl)-3-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?
N-[6-(1-propan-2-ylpiperidin-4-yl)-3-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine has a molecular weight of 403.49 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1-propan-2-ylpiperidin-4-yl)-3-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 135979645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).