5-methyl-N-(1-prop-2-enylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C14H20N6 — CID 91956607

IUPAC5-methyl-N-(1-prop-2-enylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESC=CCN1CCC(Nc2cc(C)nc3ncnn23)CC1
InChIInChI=1S/C14H20N6/c1-3-6-19-7-4-12(5-8-19)18-13-9-11(2)17-14-15-10-16-20(13)14/h3,9-10,12,18H,1,4-8H2,2H3
InChIKeyBJAQBXHHVWJTMP-UHFFFAOYSA-N
MW272.36 g/mol
LogP1.50
Rot. Bonds4

About 5-methyl-N-(1-prop-2-enylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

5-methyl-N-(1-prop-2-enylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 91956607) has the molecular formula C14H20N6 and a molecular weight of 272.36 g/mol. Its IUPAC name is 5-methyl-N-(1-prop-2-enylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-methyl-N-(1-prop-2-enylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID91956607
Molecular FormulaC14H20N6
Molecular Weight272.36 g/mol
Exact Mass272.17
IUPAC Name5-methyl-N-(1-prop-2-enylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESC=CCN1CCC(Nc2cc(C)nc3ncnn23)CC1
InChIInChI=1S/C14H20N6/c1-3-6-19-7-4-12(5-8-19)18-13-9-11(2)17-14-15-10-16-20(13)14/h3,9-10,12,18H,1,4-8H2,2H3
InChIKeyBJAQBXHHVWJTMP-UHFFFAOYSA-N
XLogP1.50
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-methyl-N-(1-prop-2-enylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine with MolForge

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Related Compounds

N-cyclobutyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 53259071
N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133358064
3-methoxy-1-[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]propan-1-one
CID 133377499
furan-2-yl-[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]methanone
CID 18150145
N-(1-cyclohexylpiperidin-3-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133296233
1-methyl-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cyclobutan-1-ol
CID 146133919
5-methyl-N-[3-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 42942271
5-methyl-N-(2-methylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 106995974
5-methyl-N-(2-methyloxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 113346594
N-(2,2-diethyloxan-4-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 82765048
5-methyl-N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 56777998
N-[1-(cyclopentylmethyl)piperidin-4-yl]-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 128953223

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(1-prop-2-enylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-methyl-N-(1-prop-2-enylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 91956607) is 5-methyl-N-(1-prop-2-enylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-methyl-N-(1-prop-2-enylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-methyl-N-(1-prop-2-enylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is C=CCN1CCC(Nc2cc(C)nc3ncnn23)CC1.
What is the InChIKey of 5-methyl-N-(1-prop-2-enylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is BJAQBXHHVWJTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6/c1-3-6-19-7-4-12(5-8-19)18-13-9-11(2)17-14-15-10-16-20(13)14/h3,9-10,12,18H,1,4-8H2,2H3.
What are the key properties of 5-methyl-N-(1-prop-2-enylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-methyl-N-(1-prop-2-enylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 272.36 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(1-prop-2-enylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 91956607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).