3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-methylamino]-N-methylpropanamide

C10H13ClN6O — CID 106917443

IUPAC3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)c1cc(Cl)nc2ncnn12
InChIInChI=1S/C10H13ClN6O/c1-12-8(18)3-4-16(2)9-5-7(11)15-10-13-6-14-17(9)10/h5-6H,3-4H2,1-2H3,(H,12,18)
InChIKeyLEKOVHIOOOFJAU-UHFFFAOYSA-N
MW268.71 g/mol
LogP0.35
Rot. Bonds4

About 3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-methylamino]-N-methylpropanamide

3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-methylamino]-N-methylpropanamide (PubChem CID 106917443) has the molecular formula C10H13ClN6O and a molecular weight of 268.71 g/mol. Its IUPAC name is 3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-methylamino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-methylamino]-N-methylpropanamide
PubChem CID106917443
Molecular FormulaC10H13ClN6O
Molecular Weight268.71 g/mol
Exact Mass268.08
IUPAC Name3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)c1cc(Cl)nc2ncnn12
InChIInChI=1S/C10H13ClN6O/c1-12-8(18)3-4-16(2)9-5-7(11)15-10-13-6-14-17(9)10/h5-6H,3-4H2,1-2H3,(H,12,18)
InChIKeyLEKOVHIOOOFJAU-UHFFFAOYSA-N
XLogP0.35
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.71
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-propylamino]-N-methylacetamide
CID 102918624
5-chloro-N-(2-ethoxyethyl)-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102919027
methyl 3-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanoate
CID 62005412
2-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-ethylamino]-N,N-dimethylacetamide
CID 102918554
N-[3-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propyl]acetamide
CID 133303949
3-[(2-chloro-4-pyridinyl)-methylamino]-N-methylpropanamide
CID 103756780
5-chloro-N-[(4-methoxyphenyl)methyl]-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918526
5-chloro-N-methyl-N-(oxan-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918851
5-chloro-N,N-bis(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918512
3-[(4-amino-6-chloro-2-pyridinyl)-methylamino]-N-methylpropanamide
CID 104924164
5-chloro-N-cyclobutyl-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102919185
N-(4-chlorophenyl)-2-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]acetamide
CID 18191318

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-methylamino]-N-methylpropanamide?
The IUPAC name of 3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-methylamino]-N-methylpropanamide (CID 106917443) is 3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-methylamino]-N-methylpropanamide.
What is the SMILES notation for 3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-methylamino]-N-methylpropanamide?
The canonical SMILES for 3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-methylamino]-N-methylpropanamide is CNC(=O)CCN(C)c1cc(Cl)nc2ncnn12.
What is the InChIKey of 3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-methylamino]-N-methylpropanamide?
The InChIKey is LEKOVHIOOOFJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN6O/c1-12-8(18)3-4-16(2)9-5-7(11)15-10-13-6-14-17(9)10/h5-6H,3-4H2,1-2H3,(H,12,18).
What are the key properties of 3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-methylamino]-N-methylpropanamide?
3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-methylamino]-N-methylpropanamide has a molecular weight of 268.71 g/mol, XLogP of 0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-methylamino]-N-methylpropanamide is sourced from PubChem (CID 106917443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).