2-chloro-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine

C16H16ClN5O — CID 141386417

IUPAC2-chloro-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine
SMILESCOc1ccc(CN(c2nc(Cl)nn3ccnc23)C2CC2)cc1
InChIInChI=1S/C16H16ClN5O/c1-23-13-6-2-11(3-7-13)10-21(12-4-5-12)15-14-18-8-9-22(14)20-16(17)19-15/h2-3,6-9,12H,4-5,10H2,1H3
InChIKeyVVNHHFDMZYSIAM-UHFFFAOYSA-N
MW329.79 g/mol
LogP2.96
Rot. Bonds5

About 2-chloro-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine

2-chloro-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 141386417) has the molecular formula C16H16ClN5O and a molecular weight of 329.79 g/mol. Its IUPAC name is 2-chloro-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name2-chloro-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine
PubChem CID141386417
Molecular FormulaC16H16ClN5O
Molecular Weight329.79 g/mol
Exact Mass329.10
IUPAC Name2-chloro-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine
SMILESCOc1ccc(CN(c2nc(Cl)nn3ccnc23)C2CC2)cc1
InChIInChI=1S/C16H16ClN5O/c1-23-13-6-2-11(3-7-13)10-21(12-4-5-12)15-14-18-8-9-22(14)20-16(17)19-15/h2-3,6-9,12H,4-5,10H2,1H3
InChIKeyVVNHHFDMZYSIAM-UHFFFAOYSA-N
XLogP2.96
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-chloro-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine with MolForge

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Related Compounds

2-amino-4-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]imidazo[2,1-f][1,2,4]triazine-7-carbonitrile
CID 141386326
2-heptan-4-yloxy-N,N-bis[(4-methoxyphenyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine
CID 155777750
6-chloro-N-cyclobutyl-3-isocyano-N-[(4-methoxyphenyl)methyl]imidazo[1,2-b]pyridazin-8-amine
CID 59313898
4-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]imidazo[2,1-f][1,2,4]triazine-7-carbonitrile
CID 131743274
6-chloro-8-[N-[(4-methoxyphenyl)methyl]anilino]imidazo[1,2-b]pyridazine-7-carbonitrile
CID 86618525
2,6-dichloro-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-nitropyridin-4-amine
CID 177200425
2-[3-(azetidin-3-yl)-2-chloro-5-cyanoanilino]-4-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]imidazo[2,1-f][1,2,4]triazine-7-carbonitrile
CID 86708598
2-chloro-N-(2-chloro-3-methoxy-4-pyridinyl)imidazo[2,1-f][1,2,4]triazin-4-amine
CID 178019492
6-bromo-N-[(4-methoxyphenyl)methyl]-N-methylimidazo[1,2-a]pyrazin-8-amine
CID 79953825
[4-[amino-[(4-methoxyphenyl)methyl]amino]-2-chloro-6-(3-hydroxypyrrolidin-1-yl)pyrimidin-5-yl]-methylazanium
CID 163633727
N-cyclopropyl-N-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-3-methylbutanamide
CID 42819247
bis(2-chloro-N,N-bis[(2,4-dimethoxyphenyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine);2,4-dichloro-1,2,3,4-tetrahydroimidazo[2,1-f][1,2,4]triazine;1-(2,4-dimethoxyphenyl)-N-[(2,4-dimethoxyphenyl)methyl]methanamine;1H-imidazo[2,1-f][1,2,4]triazine-2,4-dione
CID 167586065

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 2-chloro-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine (CID 141386417) is 2-chloro-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 2-chloro-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 2-chloro-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine is COc1ccc(CN(c2nc(Cl)nn3ccnc23)C2CC2)cc1.
What is the InChIKey of 2-chloro-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is VVNHHFDMZYSIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5O/c1-23-13-6-2-11(3-7-13)10-21(12-4-5-12)15-14-18-8-9-22(14)20-16(17)19-15/h2-3,6-9,12H,4-5,10H2,1H3.
What are the key properties of 2-chloro-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine?
2-chloro-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 329.79 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 141386417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).