5-chloro-N,N-diethyl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C10H14ClN5 — CID 103076140

IUPAC5-chloro-N,N-diethyl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCN(CC)c1c(C)c(Cl)nc2ncnn12
InChIInChI=1S/C10H14ClN5/c1-4-15(5-2)9-7(3)8(11)14-10-12-6-13-16(9)10/h6H,4-5H2,1-3H3
InChIKeyGEATWVHOMSKOQA-UHFFFAOYSA-N
MW239.71 g/mol
LogP1.93
Rot. Bonds3

About 5-chloro-N,N-diethyl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

5-chloro-N,N-diethyl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 103076140) has the molecular formula C10H14ClN5 and a molecular weight of 239.71 g/mol. Its IUPAC name is 5-chloro-N,N-diethyl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-chloro-N,N-diethyl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID103076140
Molecular FormulaC10H14ClN5
Molecular Weight239.71 g/mol
Exact Mass239.09
IUPAC Name5-chloro-N,N-diethyl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCN(CC)c1c(C)c(Cl)nc2ncnn12
InChIInChI=1S/C10H14ClN5/c1-4-15(5-2)9-7(3)8(11)14-10-12-6-13-16(9)10/h6H,4-5H2,1-3H3
InChIKeyGEATWVHOMSKOQA-UHFFFAOYSA-N
XLogP1.93
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.71
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-ethylamino]ethanol
CID 103076298
1-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-methylamino]-2-methylpropan-2-ol
CID 103076772
5-chloro-6-methyl-N-(2-methylpropyl)-N-pentan-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076778
5-chloro-7-ethylsulfanyl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 103077048
5-chloro-N,6-dimethyl-N-[(2-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076318
2-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-cyclopentylamino]ethanol
CID 103076453
2-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-N,N-diethylethanamine
CID 103077116
2-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-methylamino]-1-pyrrolidin-1-ylethanone
CID 103076346
5-chloro-N-(2-fluorophenyl)-N,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076539
5-chloro-N-ethyl-N-(2-methylprop-2-enyl)-6-(2,3,4,5,6-pentafluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 15435422
5-chloro-N-[(3-fluorophenyl)methyl]-N,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076152
5-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076466

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N,N-diethyl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-chloro-N,N-diethyl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 103076140) is 5-chloro-N,N-diethyl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-chloro-N,N-diethyl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-chloro-N,N-diethyl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CCN(CC)c1c(C)c(Cl)nc2ncnn12.
What is the InChIKey of 5-chloro-N,N-diethyl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is GEATWVHOMSKOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN5/c1-4-15(5-2)9-7(3)8(11)14-10-12-6-13-16(9)10/h6H,4-5H2,1-3H3.
What are the key properties of 5-chloro-N,N-diethyl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-chloro-N,N-diethyl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 239.71 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N,N-diethyl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 103076140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).