3-(5-methyl-1,2,4-triazin-3-yl)propan-1-amine

C7H12N4 — CID 82417070

IUPAC3-(5-methyl-1,2,4-triazin-3-yl)propan-1-amine
SMILESCc1cnnc(CCCN)n1
InChIInChI=1S/C7H12N4/c1-6-5-9-11-7(10-6)3-2-4-8/h5H,2-4,8H2,1H3
InChIKeyHGGAFWKPZSAVNH-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.07
Rot. Bonds3

About 3-(5-methyl-1,2,4-triazin-3-yl)propan-1-amine

3-(5-methyl-1,2,4-triazin-3-yl)propan-1-amine (PubChem CID 82417070) has the molecular formula C7H12N4 and a molecular weight of 152.20 g/mol. Its IUPAC name is 3-(5-methyl-1,2,4-triazin-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-(5-methyl-1,2,4-triazin-3-yl)propan-1-amine
PubChem CID82417070
Molecular FormulaC7H12N4
Molecular Weight152.20 g/mol
Exact Mass152.11
IUPAC Name3-(5-methyl-1,2,4-triazin-3-yl)propan-1-amine
SMILESCc1cnnc(CCCN)n1
InChIInChI=1S/C7H12N4/c1-6-5-9-11-7(10-6)3-2-4-8/h5H,2-4,8H2,1H3
InChIKeyHGGAFWKPZSAVNH-UHFFFAOYSA-N
XLogP0.07
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-tert-butyl-6-methylpyrimidin-2-yl)propan-1-amine
CID 63318758
3-[4-(3-bromophenyl)-6-methylpyrimidin-2-yl]propan-1-amine
CID 116892905
3-(2,3-dimethylimidazol-4-yl)propan-1-amine
CID 82416793
3-[4-(5-bromo-2-fluorophenyl)-6-methylpyrimidin-2-yl]propan-1-amine
CID 116892899
3-[4-(2,3-dihydro-1H-inden-5-yl)-6-methylpyrimidin-2-yl]propan-1-amine
CID 116892881
3-(3,5-dimethyl-1,2,4-triazin-6-yl)propan-1-amine
CID 82414076
5-methyl-3-methylsulfanyl-1,2,4-triazine
CID 12503454
3-(6,7,8,9-tetrahydro-5H-cyclohepta[e][1,2,4]triazin-3-yl)propan-1-amine
CID 105459674
N-methyl-3-(5-propyl-1,2,4-triazin-3-yl)propan-1-amine
CID 105448485
4-(5-methyl-1,2,4-oxadiazol-3-yl)butan-1-amine
CID 83872807
3-(4,6-dimethyl-2-propylpyrimidin-5-yl)propan-1-amine
CID 62745596
3-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)propan-1-amine
CID 79817683

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1,2,4-triazin-3-yl)propan-1-amine?
The IUPAC name of 3-(5-methyl-1,2,4-triazin-3-yl)propan-1-amine (CID 82417070) is 3-(5-methyl-1,2,4-triazin-3-yl)propan-1-amine.
What is the SMILES notation for 3-(5-methyl-1,2,4-triazin-3-yl)propan-1-amine?
The canonical SMILES for 3-(5-methyl-1,2,4-triazin-3-yl)propan-1-amine is Cc1cnnc(CCCN)n1.
What is the InChIKey of 3-(5-methyl-1,2,4-triazin-3-yl)propan-1-amine?
The InChIKey is HGGAFWKPZSAVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4/c1-6-5-9-11-7(10-6)3-2-4-8/h5H,2-4,8H2,1H3.
What are the key properties of 3-(5-methyl-1,2,4-triazin-3-yl)propan-1-amine?
3-(5-methyl-1,2,4-triazin-3-yl)propan-1-amine has a molecular weight of 152.20 g/mol, XLogP of 0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-1,2,4-triazin-3-yl)propan-1-amine is sourced from PubChem (CID 82417070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).