6-cyclohexyl-N-(1-piperidin-4-ylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine;hydrochloride

C19H27ClN8 — CID 138596711

IUPAC6-cyclohexyl-N-(1-piperidin-4-ylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine;hydrochloride
SMILESCl.c1nc2c(Nc3cnn(C4CCNCC4)c3)nc(C3CCCCC3)cn2n1
InChIInChI=1S/C19H26N8.ClH/c1-2-4-14(5-3-1)17-12-27-19(21-13-23-27)18(25-17)24-15-10-22-26(11-15)16-6-8-20-9-7-16;/h10-14,16,20H,1-9H2,(H,24,25);1H
InChIKeyNRPDMTQWEWVBNN-UHFFFAOYSA-N
MW402.93 g/mol
LogP3.46
Rot. Bonds4

About 6-cyclohexyl-N-(1-piperidin-4-ylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine;hydrochloride

6-cyclohexyl-N-(1-piperidin-4-ylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine;hydrochloride (PubChem CID 138596711) has the molecular formula C19H27ClN8 and a molecular weight of 402.93 g/mol. Its IUPAC name is 6-cyclohexyl-N-(1-piperidin-4-ylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine;hydrochloride.

Molecular Properties

Compound Name6-cyclohexyl-N-(1-piperidin-4-ylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine;hydrochloride
PubChem CID138596711
Molecular FormulaC19H27ClN8
Molecular Weight402.93 g/mol
Exact Mass402.20
IUPAC Name6-cyclohexyl-N-(1-piperidin-4-ylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine;hydrochloride
SMILESCl.c1nc2c(Nc3cnn(C4CCNCC4)c3)nc(C3CCCCC3)cn2n1
InChIInChI=1S/C19H26N8.ClH/c1-2-4-14(5-3-1)17-12-27-19(21-13-23-27)18(25-17)24-15-10-22-26(11-15)16-6-8-20-9-7-16;/h10-14,16,20H,1-9H2,(H,24,25);1H
InChIKeyNRPDMTQWEWVBNN-UHFFFAOYSA-N
XLogP3.46
TPSA84.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.93
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-N-(1-piperidin-4-ylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine;hydrochloride?
The IUPAC name of 6-cyclohexyl-N-(1-piperidin-4-ylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine;hydrochloride (CID 138596711) is 6-cyclohexyl-N-(1-piperidin-4-ylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine;hydrochloride.
What is the SMILES notation for 6-cyclohexyl-N-(1-piperidin-4-ylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine;hydrochloride?
The canonical SMILES for 6-cyclohexyl-N-(1-piperidin-4-ylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine;hydrochloride is Cl.c1nc2c(Nc3cnn(C4CCNCC4)c3)nc(C3CCCCC3)cn2n1.
What is the InChIKey of 6-cyclohexyl-N-(1-piperidin-4-ylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine;hydrochloride?
The InChIKey is NRPDMTQWEWVBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N8.ClH/c1-2-4-14(5-3-1)17-12-27-19(21-13-23-27)18(25-17)24-15-10-22-26(11-15)16-6-8-20-9-7-16;/h10-14,16,20H,1-9H2,(H,24,25);1H.
What are the key properties of 6-cyclohexyl-N-(1-piperidin-4-ylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine;hydrochloride?
6-cyclohexyl-N-(1-piperidin-4-ylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine;hydrochloride has a molecular weight of 402.93 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-N-(1-piperidin-4-ylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine;hydrochloride is sourced from PubChem (CID 138596711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).