7-(cyclohexylmethyl)-2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

C16H24N6 — CID 97467525

IUPAC7-(cyclohexylmethyl)-2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESc1ncn(Cc2cn3c(n2)CN(CC2CCCCC2)CC3)n1
InChIInChI=1S/C16H24N6/c1-2-4-14(5-3-1)8-20-6-7-21-9-15(19-16(21)11-20)10-22-13-17-12-18-22/h9,12-14H,1-8,10-11H2
InChIKeyPOPKLKCKSHVSQL-UHFFFAOYSA-N
MW300.41 g/mol
LogP1.92
Rot. Bonds4

About 7-(cyclohexylmethyl)-2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

7-(cyclohexylmethyl)-2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (PubChem CID 97467525) has the molecular formula C16H24N6 and a molecular weight of 300.41 g/mol. Its IUPAC name is 7-(cyclohexylmethyl)-2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name7-(cyclohexylmethyl)-2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
PubChem CID97467525
Molecular FormulaC16H24N6
Molecular Weight300.41 g/mol
Exact Mass300.21
IUPAC Name7-(cyclohexylmethyl)-2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESc1ncn(Cc2cn3c(n2)CN(CC2CCCCC2)CC3)n1
InChIInChI=1S/C16H24N6/c1-2-4-14(5-3-1)8-20-6-7-21-9-15(19-16(21)11-20)10-22-13-17-12-18-22/h9,12-14H,1-8,10-11H2
InChIKeyPOPKLKCKSHVSQL-UHFFFAOYSA-N
XLogP1.92
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(cyclohexylmethyl)-2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The IUPAC name of 7-(cyclohexylmethyl)-2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (CID 97467525) is 7-(cyclohexylmethyl)-2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.
What is the SMILES notation for 7-(cyclohexylmethyl)-2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The canonical SMILES for 7-(cyclohexylmethyl)-2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is c1ncn(Cc2cn3c(n2)CN(CC2CCCCC2)CC3)n1.
What is the InChIKey of 7-(cyclohexylmethyl)-2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The InChIKey is POPKLKCKSHVSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6/c1-2-4-14(5-3-1)8-20-6-7-21-9-15(19-16(21)11-20)10-22-13-17-12-18-22/h9,12-14H,1-8,10-11H2.
What are the key properties of 7-(cyclohexylmethyl)-2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
7-(cyclohexylmethyl)-2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine has a molecular weight of 300.41 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclohexylmethyl)-2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is sourced from PubChem (CID 97467525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).