N-(1-chloro-3-methoxypropan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C10H14ClN5O — CID 106181451

IUPACN-(1-chloro-3-methoxypropan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCOCC(CCl)Nc1cc(C)nc2ncnn12
InChIInChI=1S/C10H14ClN5O/c1-7-3-9(15-8(4-11)5-17-2)16-10(14-7)12-6-13-16/h3,6,8,15H,4-5H2,1-2H3
InChIKeyVZCTUORVGCFAEQ-UHFFFAOYSA-N
MW255.71 g/mol
LogP1.10
Rot. Bonds5

About N-(1-chloro-3-methoxypropan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-(1-chloro-3-methoxypropan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 106181451) has the molecular formula C10H14ClN5O and a molecular weight of 255.71 g/mol. Its IUPAC name is N-(1-chloro-3-methoxypropan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(1-chloro-3-methoxypropan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID106181451
Molecular FormulaC10H14ClN5O
Molecular Weight255.71 g/mol
Exact Mass255.09
IUPAC NameN-(1-chloro-3-methoxypropan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCOCC(CCl)Nc1cc(C)nc2ncnn12
InChIInChI=1S/C10H14ClN5O/c1-7-3-9(15-8(4-11)5-17-2)16-10(14-7)12-6-13-16/h3,6,8,15H,4-5H2,1-2H3
InChIKeyVZCTUORVGCFAEQ-UHFFFAOYSA-N
XLogP1.10
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.71
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-1-N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)butane-1,3-diamine
CID 114163264
2-N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)hexane-1,2-diamine
CID 80704301
N-[(1R)-1-[4-(2-methoxyethylsulfanyl)phenyl]ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 95330216
N-(3,3-dimethylbutan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 115685845
N-but-3-en-2-yl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 115692025
N-(5-chloropentyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 107320766
2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanoic acid
CID 43517144
N-benzhydryl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 32678340
5-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 61221327
N-[(1R)-1-(4-chlorophenyl)propyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 30039564
1-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-3-methoxypropan-2-ol
CID 102918881
N-(2,2-diphenylethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 3228693

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-3-methoxypropan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(1-chloro-3-methoxypropan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 106181451) is N-(1-chloro-3-methoxypropan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(1-chloro-3-methoxypropan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(1-chloro-3-methoxypropan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is COCC(CCl)Nc1cc(C)nc2ncnn12.
What is the InChIKey of N-(1-chloro-3-methoxypropan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is VZCTUORVGCFAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN5O/c1-7-3-9(15-8(4-11)5-17-2)16-10(14-7)12-6-13-16/h3,6,8,15H,4-5H2,1-2H3.
What are the key properties of N-(1-chloro-3-methoxypropan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-(1-chloro-3-methoxypropan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 255.71 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-3-methoxypropan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 106181451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).