1-ethyl-3-methyl-6-[(2-methylcyclohexyl)methyl]imidazo[4,5-d]pyrazol-5-amine

C15H25N5 — CID 79305208

IUPAC1-ethyl-3-methyl-6-[(2-methylcyclohexyl)methyl]imidazo[4,5-d]pyrazol-5-amine
SMILESCCn1nc(C)c2nc(N)n(CC3CCCCC3C)c21
InChIInChI=1S/C15H25N5/c1-4-20-14-13(11(3)18-20)17-15(16)19(14)9-12-8-6-5-7-10(12)2/h10,12H,4-9H2,1-3H3,(H2,16,17)
InChIKeyDWJCDNVVNRFJDL-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.97
Rot. Bonds3

About 1-ethyl-3-methyl-6-[(2-methylcyclohexyl)methyl]imidazo[4,5-d]pyrazol-5-amine

1-ethyl-3-methyl-6-[(2-methylcyclohexyl)methyl]imidazo[4,5-d]pyrazol-5-amine (PubChem CID 79305208) has the molecular formula C15H25N5 and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-ethyl-3-methyl-6-[(2-methylcyclohexyl)methyl]imidazo[4,5-d]pyrazol-5-amine.

Molecular Properties

Compound Name1-ethyl-3-methyl-6-[(2-methylcyclohexyl)methyl]imidazo[4,5-d]pyrazol-5-amine
PubChem CID79305208
Molecular FormulaC15H25N5
Molecular Weight275.40 g/mol
Exact Mass275.21
IUPAC Name1-ethyl-3-methyl-6-[(2-methylcyclohexyl)methyl]imidazo[4,5-d]pyrazol-5-amine
SMILESCCn1nc(C)c2nc(N)n(CC3CCCCC3C)c21
InChIInChI=1S/C15H25N5/c1-4-20-14-13(11(3)18-20)17-15(16)19(14)9-12-8-6-5-7-10(12)2/h10,12H,4-9H2,1-3H3,(H2,16,17)
InChIKeyDWJCDNVVNRFJDL-UHFFFAOYSA-N
XLogP2.97
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-6-[(2-methylcyclohexyl)methyl]imidazo[4,5-d]pyrazol-5-amine?
The IUPAC name of 1-ethyl-3-methyl-6-[(2-methylcyclohexyl)methyl]imidazo[4,5-d]pyrazol-5-amine (CID 79305208) is 1-ethyl-3-methyl-6-[(2-methylcyclohexyl)methyl]imidazo[4,5-d]pyrazol-5-amine.
What is the SMILES notation for 1-ethyl-3-methyl-6-[(2-methylcyclohexyl)methyl]imidazo[4,5-d]pyrazol-5-amine?
The canonical SMILES for 1-ethyl-3-methyl-6-[(2-methylcyclohexyl)methyl]imidazo[4,5-d]pyrazol-5-amine is CCn1nc(C)c2nc(N)n(CC3CCCCC3C)c21.
What is the InChIKey of 1-ethyl-3-methyl-6-[(2-methylcyclohexyl)methyl]imidazo[4,5-d]pyrazol-5-amine?
The InChIKey is DWJCDNVVNRFJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5/c1-4-20-14-13(11(3)18-20)17-15(16)19(14)9-12-8-6-5-7-10(12)2/h10,12H,4-9H2,1-3H3,(H2,16,17).
What are the key properties of 1-ethyl-3-methyl-6-[(2-methylcyclohexyl)methyl]imidazo[4,5-d]pyrazol-5-amine?
1-ethyl-3-methyl-6-[(2-methylcyclohexyl)methyl]imidazo[4,5-d]pyrazol-5-amine has a molecular weight of 275.40 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-6-[(2-methylcyclohexyl)methyl]imidazo[4,5-d]pyrazol-5-amine is sourced from PubChem (CID 79305208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).