5-chloro-7-[1-(methylaminomethyl)cyclobutyl]imidazo[5,1-f][1,2,4]triazin-2-amine;oxan-3-ol

C16H25ClN6O2 — CID 176688929

IUPAC5-chloro-7-[1-(methylaminomethyl)cyclobutyl]imidazo[5,1-f][1,2,4]triazin-2-amine;oxan-3-ol
SMILESCNCC1(c2nc(Cl)c3cnc(N)nn23)CCC1.OC1CCCOC1
InChIInChI=1S/C11H15ClN6.C5H10O2/c1-14-6-11(3-2-4-11)9-16-8(12)7-5-15-10(13)17-18(7)9;6-5-2-1-3-7-4-5/h5,14H,2-4,6H2,1H3,(H2,13,17);5-6H,1-4H2
InChIKeyKCRGUJZZXPBMFO-UHFFFAOYSA-N
MW368.87 g/mol
LogP1.16
Rot. Bonds3

About 5-chloro-7-[1-(methylaminomethyl)cyclobutyl]imidazo[5,1-f][1,2,4]triazin-2-amine;oxan-3-ol

5-chloro-7-[1-(methylaminomethyl)cyclobutyl]imidazo[5,1-f][1,2,4]triazin-2-amine;oxan-3-ol (PubChem CID 176688929) has the molecular formula C16H25ClN6O2 and a molecular weight of 368.87 g/mol. Its IUPAC name is 5-chloro-7-[1-(methylaminomethyl)cyclobutyl]imidazo[5,1-f][1,2,4]triazin-2-amine;oxan-3-ol.

Molecular Properties

Compound Name5-chloro-7-[1-(methylaminomethyl)cyclobutyl]imidazo[5,1-f][1,2,4]triazin-2-amine;oxan-3-ol
PubChem CID176688929
Molecular FormulaC16H25ClN6O2
Molecular Weight368.87 g/mol
Exact Mass368.17
IUPAC Name5-chloro-7-[1-(methylaminomethyl)cyclobutyl]imidazo[5,1-f][1,2,4]triazin-2-amine;oxan-3-ol
SMILESCNCC1(c2nc(Cl)c3cnc(N)nn23)CCC1.OC1CCCOC1
InChIInChI=1S/C11H15ClN6.C5H10O2/c1-14-6-11(3-2-4-11)9-16-8(12)7-5-15-10(13)17-18(7)9;6-5-2-1-3-7-4-5/h5,14H,2-4,6H2,1H3,(H2,13,17);5-6H,1-4H2
InChIKeyKCRGUJZZXPBMFO-UHFFFAOYSA-N
XLogP1.16
TPSA110.59 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.87
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 5-chloro-7-[1-(methylaminomethyl)cyclobutyl]imidazo[5,1-f][1,2,4]triazin-2-amine;oxan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-[1-(methylaminomethyl)cyclobutyl]imidazo[5,1-f][1,2,4]triazin-2-amine;oxan-3-ol?
The IUPAC name of 5-chloro-7-[1-(methylaminomethyl)cyclobutyl]imidazo[5,1-f][1,2,4]triazin-2-amine;oxan-3-ol (CID 176688929) is 5-chloro-7-[1-(methylaminomethyl)cyclobutyl]imidazo[5,1-f][1,2,4]triazin-2-amine;oxan-3-ol.
What is the SMILES notation for 5-chloro-7-[1-(methylaminomethyl)cyclobutyl]imidazo[5,1-f][1,2,4]triazin-2-amine;oxan-3-ol?
The canonical SMILES for 5-chloro-7-[1-(methylaminomethyl)cyclobutyl]imidazo[5,1-f][1,2,4]triazin-2-amine;oxan-3-ol is CNCC1(c2nc(Cl)c3cnc(N)nn23)CCC1.OC1CCCOC1.
What is the InChIKey of 5-chloro-7-[1-(methylaminomethyl)cyclobutyl]imidazo[5,1-f][1,2,4]triazin-2-amine;oxan-3-ol?
The InChIKey is KCRGUJZZXPBMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN6.C5H10O2/c1-14-6-11(3-2-4-11)9-16-8(12)7-5-15-10(13)17-18(7)9;6-5-2-1-3-7-4-5/h5,14H,2-4,6H2,1H3,(H2,13,17);5-6H,1-4H2.
What are the key properties of 5-chloro-7-[1-(methylaminomethyl)cyclobutyl]imidazo[5,1-f][1,2,4]triazin-2-amine;oxan-3-ol?
5-chloro-7-[1-(methylaminomethyl)cyclobutyl]imidazo[5,1-f][1,2,4]triazin-2-amine;oxan-3-ol has a molecular weight of 368.87 g/mol, XLogP of 1.16, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-[1-(methylaminomethyl)cyclobutyl]imidazo[5,1-f][1,2,4]triazin-2-amine;oxan-3-ol is sourced from PubChem (CID 176688929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).