5-chloro-6-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C10H11ClN8 — CID 114168058

IUPAC5-chloro-6-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1c(Cl)nc2ncnn2c1NC(C)c1ncn[nH]1
InChIInChI=1S/C10H11ClN8/c1-5-7(11)17-10-13-4-15-19(10)9(5)16-6(2)8-12-3-14-18-8/h3-4,6,16H,1-2H3,(H,12,14,18)
InChIKeyLAUIPCVJPVYUDO-UHFFFAOYSA-N
MW278.71 g/mol
LogP1.38
Rot. Bonds3

About 5-chloro-6-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

5-chloro-6-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 114168058) has the molecular formula C10H11ClN8 and a molecular weight of 278.71 g/mol. Its IUPAC name is 5-chloro-6-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-chloro-6-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID114168058
Molecular FormulaC10H11ClN8
Molecular Weight278.71 g/mol
Exact Mass278.08
IUPAC Name5-chloro-6-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1c(Cl)nc2ncnn2c1NC(C)c1ncn[nH]1
InChIInChI=1S/C10H11ClN8/c1-5-7(11)17-10-13-4-15-19(10)9(5)16-6(2)8-12-3-14-18-8/h3-4,6,16H,1-2H3,(H,12,14,18)
InChIKeyLAUIPCVJPVYUDO-UHFFFAOYSA-N
XLogP1.38
TPSA96.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.71
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butan-1-ol
CID 103076867
5-chloro-6-methyl-N-(6-methylheptan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076376
5-chloro-N-hex-5-yn-3-yl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 106195677
5-chloro-6-methyl-N-(1-pyrazol-1-ylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076363
2-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-N-propylpropanamide
CID 103076387
3-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-4,4-dimethylpentan-1-ol
CID 106352632
2-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-N-ethyl-N-methylpropanamide
CID 103112984
2-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-N-(2-methoxyethyl)propanamide
CID 103076893
5-chloro-6-methyl-N-pentyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076184
1-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pentan-3-ol
CID 103076946
2-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2-ethylbutan-1-ol
CID 103076571
N-benzyl-5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076180

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-chloro-6-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 114168058) is 5-chloro-6-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-chloro-6-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-chloro-6-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1c(Cl)nc2ncnn2c1NC(C)c1ncn[nH]1.
What is the InChIKey of 5-chloro-6-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is LAUIPCVJPVYUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN8/c1-5-7(11)17-10-13-4-15-19(10)9(5)16-6(2)8-12-3-14-18-8/h3-4,6,16H,1-2H3,(H,12,14,18).
What are the key properties of 5-chloro-6-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-chloro-6-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 278.71 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 114168058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).