N-butan-2-yl-5-chloro-6-cyclopentyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C14H20ClN5 — CID 87797934

IUPACN-butan-2-yl-5-chloro-6-cyclopentyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCC(C)Nc1c(C2CCCC2)c(Cl)nc2ncnn12
InChIInChI=1S/C14H20ClN5/c1-3-9(2)18-13-11(10-6-4-5-7-10)12(15)19-14-16-8-17-20(13)14/h8-10,18H,3-7H2,1-2H3
InChIKeyGYUBRVUBMKFNGM-UHFFFAOYSA-N
MW293.80 g/mol
LogP3.65
Rot. Bonds4

About N-butan-2-yl-5-chloro-6-cyclopentyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-butan-2-yl-5-chloro-6-cyclopentyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 87797934) has the molecular formula C14H20ClN5 and a molecular weight of 293.80 g/mol. Its IUPAC name is N-butan-2-yl-5-chloro-6-cyclopentyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-butan-2-yl-5-chloro-6-cyclopentyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID87797934
Molecular FormulaC14H20ClN5
Molecular Weight293.80 g/mol
Exact Mass293.14
IUPAC NameN-butan-2-yl-5-chloro-6-cyclopentyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCC(C)Nc1c(C2CCCC2)c(Cl)nc2ncnn12
InChIInChI=1S/C14H20ClN5/c1-3-9(2)18-13-11(10-6-4-5-7-10)12(15)19-14-16-8-17-20(13)14/h8-10,18H,3-7H2,1-2H3
InChIKeyGYUBRVUBMKFNGM-UHFFFAOYSA-N
XLogP3.65
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-6-cyclopentyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 87797982
5-chloro-6-propan-2-yl-N-[(2S)-1,1,1-trifluoropropan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 87798073
5-chloro-6-propan-2-yl-N-(1,1,1-trifluoropropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 87798075
5-chloro-6-cyclopentyl-N-(1,1,1-trifluoropropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 87798104
5-chloro-6-cyclopentyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 87798189
5-chloro-N-cyclopentyl-6-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 87798202
5-chloro-6-ethyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 87798244
5-chloro-6-ethyl-N-(1,1,1-trifluoropropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 87798247
5-chloro-6-cyclohexyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 87798693
5-chloro-6-cyclohexyl-N-(1,1,1-trifluoropropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 87798705
6-butan-2-yl-5-chloro-3-ethyl-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 143059516
trans-(1R,5R)-5-[5-chloro-7-[[(2R)-3-methylbutan-2-yl]amino]-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-4-fluoro-3-methyl-4-propylcycloheptane-1-carbonitrile
CID 166800061

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-chloro-6-cyclopentyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-butan-2-yl-5-chloro-6-cyclopentyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 87797934) is N-butan-2-yl-5-chloro-6-cyclopentyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-butan-2-yl-5-chloro-6-cyclopentyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-butan-2-yl-5-chloro-6-cyclopentyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CCC(C)Nc1c(C2CCCC2)c(Cl)nc2ncnn12.
What is the InChIKey of N-butan-2-yl-5-chloro-6-cyclopentyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is GYUBRVUBMKFNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN5/c1-3-9(2)18-13-11(10-6-4-5-7-10)12(15)19-14-16-8-17-20(13)14/h8-10,18H,3-7H2,1-2H3.
What are the key properties of N-butan-2-yl-5-chloro-6-cyclopentyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-butan-2-yl-5-chloro-6-cyclopentyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 293.80 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-chloro-6-cyclopentyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 87797934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).