1-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-3-phenylpropan-1-amine

C16H19N5 — CID 114917863

IUPAC1-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-3-phenylpropan-1-amine
SMILESCc1cc2nnc(C(N)CCc3ccccc3)n2c(C)n1
InChIInChI=1S/C16H19N5/c1-11-10-15-19-20-16(21(15)12(2)18-11)14(17)9-8-13-6-4-3-5-7-13/h3-7,10,14H,8-9,17H2,1-2H3
InChIKeyBGXUMVQZIKEHRM-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.37
Rot. Bonds4

About 1-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-3-phenylpropan-1-amine

1-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-3-phenylpropan-1-amine (PubChem CID 114917863) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-3-phenylpropan-1-amine.

Molecular Properties

Compound Name1-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-3-phenylpropan-1-amine
PubChem CID114917863
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC Name1-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-3-phenylpropan-1-amine
SMILESCc1cc2nnc(C(N)CCc3ccccc3)n2c(C)n1
InChIInChI=1S/C16H19N5/c1-11-10-15-19-20-16(21(15)12(2)18-11)14(17)9-8-13-6-4-3-5-7-13/h3-7,10,14H,8-9,17H2,1-2H3
InChIKeyBGXUMVQZIKEHRM-UHFFFAOYSA-N
XLogP2.37
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-3-phenylpropan-1-amine with MolForge

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Related Compounds

1-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-phenylpropan-1-amine
CID 130374225
(1S)-1-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-3-phenylpropan-1-amine
CID 104983678
(1S)-1-(5-methyl-4-propyl-1,2,4-triazol-3-yl)-3-phenylpropan-1-amine
CID 104983677
6-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)heptan-2-amine
CID 79817486
1-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-N-methylpropan-1-amine
CID 79818147
(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-3-phenylpropan-1-amine
CID 104983433
1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-phenylpropan-1-amine
CID 114920922
1-(6-methyl-1,3-benzoxazol-2-yl)-3-phenylpropan-1-amine
CID 114918250
3-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)propan-1-amine
CID 79817683
1-(1,3-diethylpyrazol-5-yl)-3-phenylpropan-1-amine
CID 105093971
1-(2-methylphenyl)-3-phenylpropan-1-amine
CID 54919026
benzyl 2,5,7-trimethylimidazo[1,2-c]pyrimidine-3-carboxylate
CID 71451114

Frequently Asked Questions

What is the IUPAC name of 1-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-3-phenylpropan-1-amine?
The IUPAC name of 1-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-3-phenylpropan-1-amine (CID 114917863) is 1-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-3-phenylpropan-1-amine.
What is the SMILES notation for 1-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-3-phenylpropan-1-amine?
The canonical SMILES for 1-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-3-phenylpropan-1-amine is Cc1cc2nnc(C(N)CCc3ccccc3)n2c(C)n1.
What is the InChIKey of 1-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-3-phenylpropan-1-amine?
The InChIKey is BGXUMVQZIKEHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-11-10-15-19-20-16(21(15)12(2)18-11)14(17)9-8-13-6-4-3-5-7-13/h3-7,10,14H,8-9,17H2,1-2H3.
What are the key properties of 1-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-3-phenylpropan-1-amine?
1-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-3-phenylpropan-1-amine has a molecular weight of 281.36 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-3-phenylpropan-1-amine is sourced from PubChem (CID 114917863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).