3-methyl-7-(oxan-4-yl)-2-(4-propyl-1,4-diazepan-1-yl)imidazo[5,1-f][1,2,4]triazin-4-one

C19H30N6O2 — CID 134252102

IUPAC3-methyl-7-(oxan-4-yl)-2-(4-propyl-1,4-diazepan-1-yl)imidazo[5,1-f][1,2,4]triazin-4-one
SMILESCCCN1CCCN(c2nn3c(C4CCOCC4)ncc3c(=O)n2C)CC1
InChIInChI=1S/C19H30N6O2/c1-3-7-23-8-4-9-24(11-10-23)19-21-25-16(18(26)22(19)2)14-20-17(25)15-5-12-27-13-6-15/h14-15H,3-13H2,1-2H3
InChIKeyKCAWOVYHPVKKNP-UHFFFAOYSA-N
MW374.49 g/mol
LogP1.24
Rot. Bonds4

About 3-methyl-7-(oxan-4-yl)-2-(4-propyl-1,4-diazepan-1-yl)imidazo[5,1-f][1,2,4]triazin-4-one

3-methyl-7-(oxan-4-yl)-2-(4-propyl-1,4-diazepan-1-yl)imidazo[5,1-f][1,2,4]triazin-4-one (PubChem CID 134252102) has the molecular formula C19H30N6O2 and a molecular weight of 374.49 g/mol. Its IUPAC name is 3-methyl-7-(oxan-4-yl)-2-(4-propyl-1,4-diazepan-1-yl)imidazo[5,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Name3-methyl-7-(oxan-4-yl)-2-(4-propyl-1,4-diazepan-1-yl)imidazo[5,1-f][1,2,4]triazin-4-one
PubChem CID134252102
Molecular FormulaC19H30N6O2
Molecular Weight374.49 g/mol
Exact Mass374.24
IUPAC Name3-methyl-7-(oxan-4-yl)-2-(4-propyl-1,4-diazepan-1-yl)imidazo[5,1-f][1,2,4]triazin-4-one
SMILESCCCN1CCCN(c2nn3c(C4CCOCC4)ncc3c(=O)n2C)CC1
InChIInChI=1S/C19H30N6O2/c1-3-7-23-8-4-9-24(11-10-23)19-21-25-16(18(26)22(19)2)14-20-17(25)15-5-12-27-13-6-15/h14-15H,3-13H2,1-2H3
InChIKeyKCAWOVYHPVKKNP-UHFFFAOYSA-N
XLogP1.24
TPSA67.90 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-[4-(2-methoxyacetyl)-1,4-diazepan-1-yl]-3-methyl-7-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-4-one
CID 122540596
deuterioethane;2-(1,4-diazepan-1-yl)-3-methyl-7-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-4-one;methane;3-methyl-7-(oxan-4-yl)-2-(4-propanoyl-1,4-diazepan-1-yl)imidazo[5,1-f][1,2,4]triazin-4-one;propanoyl chloride
CID 159577068
3-methyl-2-[2-(4-methylphenyl)ethyl]-7-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-4-one
CID 134252107
2-[4-(ethoxymethyl)cyclohexyl]oxy-3-methyl-7-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-4-one
CID 122540557
3-[(4-methoxyphenyl)methyl]-2-methyl-7-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-4-one
CID 122637774
3-[(Z,2E)-2-ethylidenehex-3-enyl]-2-methyl-7-(oxepan-4-yl)imidazo[5,1-f][1,2,4]triazin-4-one
CID 145155648
4-[[6-(4-propyl-1,4-diazepan-1-yl)-3-pyridinyl]sulfonyl]morpholine
CID 133322499
2-(1,4-dimethylpyrrolidin-3-yl)-7-(oxan-4-yl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 136621767
11-(3-methylphenyl)-6-(oxan-4-yl)-1,5,7,8,10-pentazatricyclo[7.4.0.03,7]trideca-3,5,8-trien-2-one
CID 137002447
7-(cyclopentylmethyl)-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one
CID 122652331
1-methyl-2-(4-propyl-1,4-diazepan-1-yl)benzimidazole-4-carboxamide
CID 18428216
2-[(2-methylphenyl)methyl]-7-(oxan-4-yl)-3-pyrrolidin-3-ylimidazo[5,1-f][1,2,4]triazin-4-one
CID 118208263

Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-(oxan-4-yl)-2-(4-propyl-1,4-diazepan-1-yl)imidazo[5,1-f][1,2,4]triazin-4-one?
The IUPAC name of 3-methyl-7-(oxan-4-yl)-2-(4-propyl-1,4-diazepan-1-yl)imidazo[5,1-f][1,2,4]triazin-4-one (CID 134252102) is 3-methyl-7-(oxan-4-yl)-2-(4-propyl-1,4-diazepan-1-yl)imidazo[5,1-f][1,2,4]triazin-4-one.
What is the SMILES notation for 3-methyl-7-(oxan-4-yl)-2-(4-propyl-1,4-diazepan-1-yl)imidazo[5,1-f][1,2,4]triazin-4-one?
The canonical SMILES for 3-methyl-7-(oxan-4-yl)-2-(4-propyl-1,4-diazepan-1-yl)imidazo[5,1-f][1,2,4]triazin-4-one is CCCN1CCCN(c2nn3c(C4CCOCC4)ncc3c(=O)n2C)CC1.
What is the InChIKey of 3-methyl-7-(oxan-4-yl)-2-(4-propyl-1,4-diazepan-1-yl)imidazo[5,1-f][1,2,4]triazin-4-one?
The InChIKey is KCAWOVYHPVKKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N6O2/c1-3-7-23-8-4-9-24(11-10-23)19-21-25-16(18(26)22(19)2)14-20-17(25)15-5-12-27-13-6-15/h14-15H,3-13H2,1-2H3.
What are the key properties of 3-methyl-7-(oxan-4-yl)-2-(4-propyl-1,4-diazepan-1-yl)imidazo[5,1-f][1,2,4]triazin-4-one?
3-methyl-7-(oxan-4-yl)-2-(4-propyl-1,4-diazepan-1-yl)imidazo[5,1-f][1,2,4]triazin-4-one has a molecular weight of 374.49 g/mol, XLogP of 1.24, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-(oxan-4-yl)-2-(4-propyl-1,4-diazepan-1-yl)imidazo[5,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 134252102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).