3-[6-(4-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propan-1-amine

C15H21N5 — CID 136837661

IUPAC3-[6-(4-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propan-1-amine
SMILESCc1ccc(C2CNc3nc(CCCN)nn3C2)cc1
InChIInChI=1S/C15H21N5/c1-11-4-6-12(7-5-11)13-9-17-15-18-14(3-2-8-16)19-20(15)10-13/h4-7,13H,2-3,8-10,16H2,1H3,(H,17,18,19)
InChIKeyRBLGXYROYATFCU-UHFFFAOYSA-N
MW271.37 g/mol
LogP1.69
Rot. Bonds4

About 3-[6-(4-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propan-1-amine

3-[6-(4-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propan-1-amine (PubChem CID 136837661) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 3-[6-(4-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[6-(4-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propan-1-amine
PubChem CID136837661
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name3-[6-(4-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propan-1-amine
SMILESCc1ccc(C2CNc3nc(CCCN)nn3C2)cc1
InChIInChI=1S/C15H21N5/c1-11-4-6-12(7-5-11)13-9-17-15-18-14(3-2-8-16)19-20(15)10-13/h4-7,13H,2-3,8-10,16H2,1H3,(H,17,18,19)
InChIKeyRBLGXYROYATFCU-UHFFFAOYSA-N
XLogP1.69
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-methylphenyl)-2-(oxolan-3-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136839778
2-ethyl-6-(4-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136838898
6-phenyl-2-propan-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136839987
2-[6-(3-methoxyphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetic acid
CID 136688065
3-[7-(4-methoxyphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propan-1-amine
CID 136837645
3-(7-propan-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propan-1-amine
CID 136837668
5-(4-methylphenyl)-1,4,5,6-tetrahydropyrimidin-2-amine;hydrochloride
CID 103318047
3-[7-(1,3,5-trimethylpyrazol-4-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propan-1-amine
CID 136837662
3-(5-methyl-1-phenyl-1,2,4-triazol-3-yl)propan-1-amine
CID 82471672
3-[4-(1-methylpyrrolidin-3-yl)phenyl]propan-1-amine
CID 84786356
[3-(4-methylphenyl)cyclobutyl]methanamine
CID 83635912
2-ethyl-6-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136838851

Frequently Asked Questions

What is the IUPAC name of 3-[6-(4-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propan-1-amine?
The IUPAC name of 3-[6-(4-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propan-1-amine (CID 136837661) is 3-[6-(4-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propan-1-amine.
What is the SMILES notation for 3-[6-(4-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propan-1-amine?
The canonical SMILES for 3-[6-(4-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propan-1-amine is Cc1ccc(C2CNc3nc(CCCN)nn3C2)cc1.
What is the InChIKey of 3-[6-(4-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propan-1-amine?
The InChIKey is RBLGXYROYATFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-11-4-6-12(7-5-11)13-9-17-15-18-14(3-2-8-16)19-20(15)10-13/h4-7,13H,2-3,8-10,16H2,1H3,(H,17,18,19).
What are the key properties of 3-[6-(4-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propan-1-amine?
3-[6-(4-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propan-1-amine has a molecular weight of 271.37 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(4-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propan-1-amine is sourced from PubChem (CID 136837661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).