5-cyclopentyl-1-methyl-N-phenyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine

C19H21N7 — CID 155520739

IUPAC5-cyclopentyl-1-methyl-N-phenyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine
SMILESCc1nnc2n1-c1cnc(Nc3ccccc3)nc1N(C1CCCC1)C2
InChIInChI=1S/C19H21N7/c1-13-23-24-17-12-25(15-9-5-6-10-15)18-16(26(13)17)11-20-19(22-18)21-14-7-3-2-4-8-14/h2-4,7-8,11,15H,5-6,9-10,12H2,1H3,(H,20,21,22)
InChIKeyVQPOPAUMSRJCRV-UHFFFAOYSA-N
MW347.43 g/mol
LogP3.37
Rot. Bonds3

About 5-cyclopentyl-1-methyl-N-phenyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine

5-cyclopentyl-1-methyl-N-phenyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine (PubChem CID 155520739) has the molecular formula C19H21N7 and a molecular weight of 347.43 g/mol. Its IUPAC name is 5-cyclopentyl-1-methyl-N-phenyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine.

Molecular Properties

Compound Name5-cyclopentyl-1-methyl-N-phenyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine
PubChem CID155520739
Molecular FormulaC19H21N7
Molecular Weight347.43 g/mol
Exact Mass347.19
IUPAC Name5-cyclopentyl-1-methyl-N-phenyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine
SMILESCc1nnc2n1-c1cnc(Nc3ccccc3)nc1N(C1CCCC1)C2
InChIInChI=1S/C19H21N7/c1-13-23-24-17-12-25(15-9-5-6-10-15)18-16(26(13)17)11-20-19(22-18)21-14-7-3-2-4-8-14/h2-4,7-8,11,15H,5-6,9-10,12H2,1H3,(H,20,21,22)
InChIKeyVQPOPAUMSRJCRV-UHFFFAOYSA-N
XLogP3.37
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N2-[4-(4-methylpiperazin-1-yl)phenyl]-N8-phenyl-9-propan-2-yl-purine-2,8-diamine
CID 54759842
9-cyclopentyl-N2-[4-(4-methylpiperazin-1-yl)phenyl]-N8-phenyl-purine-2,8-diamine
CID 54760383
2-(4-Ethylpiperazin-1-yl)-4-(phenylamino)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile
CID 24779677
N-cyclohexyl-4-(imidazo(1,2-a)pyridin-3-yl)-N-methylpyrimidin-2-amine
CID 24801862
4-{2-methylimidazo[1,2-a]pyridin-3-yl}-N-phenylpyrimidin-2-amine
CID 6539009
2-Anilino-4-(imidazo[1,2-a]pyrid-3-yl)pyrimidine
CID 6539022
N-{6-[(2s)-2-Methylpyrrolidin-1-Yl]pyridin-2-Yl}-6-Phenylimidazo[1,2-B]pyridazin-8-Amine
CID 71525988
2-(1,1-Difluoroethyl)-5-Methyl-N-[6-(Trifluoromethyl)pyridin-3-Yl][1,2,4]triazolo[1,5-A]pyrimidin-7-Amine
CID 122552662
US10407446, Example 13
CID 135151301
4-N,4-N-dimethyl-1-N-(5-propan-2-ylpyrrolo[3,2-d]pyrimidin-4-yl)cyclohexane-1,4-diamine
CID 133107905
Imidazo[1,2-b]pyridazine deriv. 3
CID 6539042
US10399985, Example 23
CID 118278081

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-1-methyl-N-phenyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine?
The IUPAC name of 5-cyclopentyl-1-methyl-N-phenyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine (CID 155520739) is 5-cyclopentyl-1-methyl-N-phenyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine.
What is the SMILES notation for 5-cyclopentyl-1-methyl-N-phenyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine?
The canonical SMILES for 5-cyclopentyl-1-methyl-N-phenyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine is Cc1nnc2n1-c1cnc(Nc3ccccc3)nc1N(C1CCCC1)C2.
What is the InChIKey of 5-cyclopentyl-1-methyl-N-phenyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine?
The InChIKey is VQPOPAUMSRJCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7/c1-13-23-24-17-12-25(15-9-5-6-10-15)18-16(26(13)17)11-20-19(22-18)21-14-7-3-2-4-8-14/h2-4,7-8,11,15H,5-6,9-10,12H2,1H3,(H,20,21,22).
What are the key properties of 5-cyclopentyl-1-methyl-N-phenyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine?
5-cyclopentyl-1-methyl-N-phenyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine has a molecular weight of 347.43 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-1-methyl-N-phenyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine is sourced from PubChem (CID 155520739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).