2-chloro-N-[(1R)-1-phenylethyl]-7-propan-2-ylimidazo[2,1-f][1,2,4]triazin-4-amine

C16H18ClN5 — CID 169323639

IUPAC2-chloro-N-[(1R)-1-phenylethyl]-7-propan-2-ylimidazo[2,1-f][1,2,4]triazin-4-amine
SMILESCC(C)c1cnc2c(N[C@H](C)c3ccccc3)nc(Cl)nn12
InChIInChI=1S/C16H18ClN5/c1-10(2)13-9-18-15-14(20-16(17)21-22(13)15)19-11(3)12-7-5-4-6-8-12/h4-11H,1-3H3,(H,19,20,21)/t11-/m1/s1
InChIKeyREPVQNKUPBBACA-LLVKDONJSA-N
MW315.81 g/mol
LogP4.07
Rot. Bonds4

About 2-chloro-N-[(1R)-1-phenylethyl]-7-propan-2-ylimidazo[2,1-f][1,2,4]triazin-4-amine

2-chloro-N-[(1R)-1-phenylethyl]-7-propan-2-ylimidazo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 169323639) has the molecular formula C16H18ClN5 and a molecular weight of 315.81 g/mol. Its IUPAC name is 2-chloro-N-[(1R)-1-phenylethyl]-7-propan-2-ylimidazo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[(1R)-1-phenylethyl]-7-propan-2-ylimidazo[2,1-f][1,2,4]triazin-4-amine
PubChem CID169323639
Molecular FormulaC16H18ClN5
Molecular Weight315.81 g/mol
Exact Mass315.13
IUPAC Name2-chloro-N-[(1R)-1-phenylethyl]-7-propan-2-ylimidazo[2,1-f][1,2,4]triazin-4-amine
SMILESCC(C)c1cnc2c(N[C@H](C)c3ccccc3)nc(Cl)nn12
InChIInChI=1S/C16H18ClN5/c1-10(2)13-9-18-15-14(20-16(17)21-22(13)15)19-11(3)12-7-5-4-6-8-12/h4-11H,1-3H3,(H,19,20,21)/t11-/m1/s1
InChIKeyREPVQNKUPBBACA-LLVKDONJSA-N
XLogP4.07
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.81
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-chloro-N-[(1R)-1-phenylethyl]-7-propan-2-ylimidazo[2,1-f][1,2,4]triazin-4-amine 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 2-chloro-N-[(1R)-1-phenylethyl]-7-propan-2-ylimidazo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 2-chloro-N-[(1R)-1-phenylethyl]-7-propan-2-ylimidazo[2,1-f][1,2,4]triazin-4-amine (CID 169323639) is 2-chloro-N-[(1R)-1-phenylethyl]-7-propan-2-ylimidazo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 2-chloro-N-[(1R)-1-phenylethyl]-7-propan-2-ylimidazo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 2-chloro-N-[(1R)-1-phenylethyl]-7-propan-2-ylimidazo[2,1-f][1,2,4]triazin-4-amine is CC(C)c1cnc2c(N[C@H](C)c3ccccc3)nc(Cl)nn12.
What is the InChIKey of 2-chloro-N-[(1R)-1-phenylethyl]-7-propan-2-ylimidazo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is REPVQNKUPBBACA-LLVKDONJSA-N. The full InChI is InChI=1S/C16H18ClN5/c1-10(2)13-9-18-15-14(20-16(17)21-22(13)15)19-11(3)12-7-5-4-6-8-12/h4-11H,1-3H3,(H,19,20,21)/t11-/m1/s1.
What are the key properties of 2-chloro-N-[(1R)-1-phenylethyl]-7-propan-2-ylimidazo[2,1-f][1,2,4]triazin-4-amine?
2-chloro-N-[(1R)-1-phenylethyl]-7-propan-2-ylimidazo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 315.81 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1R)-1-phenylethyl]-7-propan-2-ylimidazo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 169323639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).