5-chloro-N-(2,2-dimethylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C10H14ClN5 — CID 102918505

IUPAC5-chloro-N-(2,2-dimethylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCC(C)(C)CNc1cc(Cl)nc2ncnn12
InChIInChI=1S/C10H14ClN5/c1-10(2,3)5-12-8-4-7(11)15-9-13-6-14-16(8)9/h4,6,12H,5H2,1-3H3
InChIKeyFVCZFWKYCRKERX-UHFFFAOYSA-N
MW239.71 g/mol
LogP2.24
Rot. Bonds2

About 5-chloro-N-(2,2-dimethylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

5-chloro-N-(2,2-dimethylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 102918505) has the molecular formula C10H14ClN5 and a molecular weight of 239.71 g/mol. Its IUPAC name is 5-chloro-N-(2,2-dimethylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-chloro-N-(2,2-dimethylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID102918505
Molecular FormulaC10H14ClN5
Molecular Weight239.71 g/mol
Exact Mass239.09
IUPAC Name5-chloro-N-(2,2-dimethylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCC(C)(C)CNc1cc(Cl)nc2ncnn12
InChIInChI=1S/C10H14ClN5/c1-10(2,3)5-12-8-4-7(11)15-9-13-6-14-16(8)9/h4,6,12H,5H2,1-3H3
InChIKeyFVCZFWKYCRKERX-UHFFFAOYSA-N
XLogP2.24
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.71
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2-methylpropane-1,2-diol
CID 102918962
5-chloro-N-(2-methyl-2-thiophen-2-ylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102919020
3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2,3-dimethylbutan-2-ol
CID 106192366
5-chloro-N-(2-cyclopropylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918943
5-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102919080
5-chloro-N-(2-cyclopentylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918495
[1-[[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]cyclopropyl]methanol
CID 102919048
ethyl 3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanoate
CID 102918711
5-chloro-N-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918380
1-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-3-methoxypropan-2-ol
CID 102918881
N-(3-butoxypropyl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102919154
5-chloro-N-[(2-methyloxolan-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918997

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2,2-dimethylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-chloro-N-(2,2-dimethylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 102918505) is 5-chloro-N-(2,2-dimethylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-chloro-N-(2,2-dimethylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-chloro-N-(2,2-dimethylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CC(C)(C)CNc1cc(Cl)nc2ncnn12.
What is the InChIKey of 5-chloro-N-(2,2-dimethylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is FVCZFWKYCRKERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN5/c1-10(2,3)5-12-8-4-7(11)15-9-13-6-14-16(8)9/h4,6,12H,5H2,1-3H3.
What are the key properties of 5-chloro-N-(2,2-dimethylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-chloro-N-(2,2-dimethylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 239.71 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2,2-dimethylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 102918505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).