7-[(2-methylcyclohexyl)methyl]-2-pentan-2-yloxyimidazo[2,1-f][1,2,4]triazin-4-amine

C18H29N5O — CID 167607713

IUPAC7-[(2-methylcyclohexyl)methyl]-2-pentan-2-yloxyimidazo[2,1-f][1,2,4]triazin-4-amine
SMILESCCCC(C)Oc1nc(N)c2ncc(CC3CCCCC3C)n2n1
InChIInChI=1S/C18H29N5O/c1-4-7-13(3)24-18-21-16(19)17-20-11-15(23(17)22-18)10-14-9-6-5-8-12(14)2/h11-14H,4-10H2,1-3H3,(H2,19,21,22)
InChIKeyOGDPHMSBOBPJIK-UHFFFAOYSA-N
MW331.46 g/mol
LogP3.64
Rot. Bonds6

About 7-[(2-methylcyclohexyl)methyl]-2-pentan-2-yloxyimidazo[2,1-f][1,2,4]triazin-4-amine

7-[(2-methylcyclohexyl)methyl]-2-pentan-2-yloxyimidazo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 167607713) has the molecular formula C18H29N5O and a molecular weight of 331.46 g/mol. Its IUPAC name is 7-[(2-methylcyclohexyl)methyl]-2-pentan-2-yloxyimidazo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name7-[(2-methylcyclohexyl)methyl]-2-pentan-2-yloxyimidazo[2,1-f][1,2,4]triazin-4-amine
PubChem CID167607713
Molecular FormulaC18H29N5O
Molecular Weight331.46 g/mol
Exact Mass331.24
IUPAC Name7-[(2-methylcyclohexyl)methyl]-2-pentan-2-yloxyimidazo[2,1-f][1,2,4]triazin-4-amine
SMILESCCCC(C)Oc1nc(N)c2ncc(CC3CCCCC3C)n2n1
InChIInChI=1S/C18H29N5O/c1-4-7-13(3)24-18-21-16(19)17-20-11-15(23(17)22-18)10-14-9-6-5-8-12(14)2/h11-14H,4-10H2,1-3H3,(H2,19,21,22)
InChIKeyOGDPHMSBOBPJIK-UHFFFAOYSA-N
XLogP3.64
TPSA78.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[(2-methylcyclohexyl)methyl]-2-pentan-2-yloxyimidazo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 7-[(2-methylcyclohexyl)methyl]-2-pentan-2-yloxyimidazo[2,1-f][1,2,4]triazin-4-amine (CID 167607713) is 7-[(2-methylcyclohexyl)methyl]-2-pentan-2-yloxyimidazo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 7-[(2-methylcyclohexyl)methyl]-2-pentan-2-yloxyimidazo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 7-[(2-methylcyclohexyl)methyl]-2-pentan-2-yloxyimidazo[2,1-f][1,2,4]triazin-4-amine is CCCC(C)Oc1nc(N)c2ncc(CC3CCCCC3C)n2n1.
What is the InChIKey of 7-[(2-methylcyclohexyl)methyl]-2-pentan-2-yloxyimidazo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is OGDPHMSBOBPJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O/c1-4-7-13(3)24-18-21-16(19)17-20-11-15(23(17)22-18)10-14-9-6-5-8-12(14)2/h11-14H,4-10H2,1-3H3,(H2,19,21,22).
What are the key properties of 7-[(2-methylcyclohexyl)methyl]-2-pentan-2-yloxyimidazo[2,1-f][1,2,4]triazin-4-amine?
7-[(2-methylcyclohexyl)methyl]-2-pentan-2-yloxyimidazo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 331.46 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-methylcyclohexyl)methyl]-2-pentan-2-yloxyimidazo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 167607713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).