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

C7H12N4 — CID 82417055

IUPAC1-(3-methyl-1,2,4-triazin-5-yl)propan-1-amine
SMILESCCC(N)c1cnnc(C)n1
InChIInChI=1S/C7H12N4/c1-3-6(8)7-4-9-11-5(2)10-7/h4,6H,3,8H2,1-2H3
InChIKeyLCZQVLLRXCFCMB-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.59
Rot. Bonds2

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

1-(3-methyl-1,2,4-triazin-5-yl)propan-1-amine (PubChem CID 82417055) has the molecular formula C7H12N4 and a molecular weight of 152.20 g/mol. Its IUPAC name is 1-(3-methyl-1,2,4-triazin-5-yl)propan-1-amine.

Molecular Properties

Compound Name1-(3-methyl-1,2,4-triazin-5-yl)propan-1-amine
PubChem CID82417055
Molecular FormulaC7H12N4
Molecular Weight152.20 g/mol
Exact Mass152.11
IUPAC Name1-(3-methyl-1,2,4-triazin-5-yl)propan-1-amine
SMILESCCC(N)c1cnnc(C)n1
InChIInChI=1S/C7H12N4/c1-3-6(8)7-4-9-11-5(2)10-7/h4,6H,3,8H2,1-2H3
InChIKeyLCZQVLLRXCFCMB-UHFFFAOYSA-N
XLogP0.59
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,2-dimethylimidazol-4-yl)propan-1-amine
CID 82416768
1-(4,6-dimethyl-1,3,5-triazin-2-yl)propan-1-amine
CID 174898965
(1S)-1-quinolin-2-ylpropan-1-amine;hydrochloride
CID 171236572
1-benzo[h]quinolin-2-ylpropan-1-amine
CID 118118854
1-(5-methyl-1,2,4-triazin-3-yl)butan-1-amine
CID 82414086
(1S)-1-pyridin-2-ylpropan-1-amine;dihydrochloride
CID 122236499
4-(1-aminopropyl)-1,3-thiazol-2-amine
CID 82415862
(1S)-1-(2,6-dimethyl-4-pyridinyl)propan-1-amine
CID 107504745
6-[(1R)-1-aminopropyl]pyridin-3-ol
CID 55276418
(1S)-1-(5,6-dichloro-2-pyridinyl)propan-1-amine
CID 130671245
(1S)-1-(1-methyltriazol-4-yl)propan-1-amine;hydrochloride
CID 155858601
1-benzo[h]quinolin-2-ylpropan-1-amine;methanol
CID 142536181

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1,2,4-triazin-5-yl)propan-1-amine?
The IUPAC name of 1-(3-methyl-1,2,4-triazin-5-yl)propan-1-amine (CID 82417055) is 1-(3-methyl-1,2,4-triazin-5-yl)propan-1-amine.
What is the SMILES notation for 1-(3-methyl-1,2,4-triazin-5-yl)propan-1-amine?
The canonical SMILES for 1-(3-methyl-1,2,4-triazin-5-yl)propan-1-amine is CCC(N)c1cnnc(C)n1.
What is the InChIKey of 1-(3-methyl-1,2,4-triazin-5-yl)propan-1-amine?
The InChIKey is LCZQVLLRXCFCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4/c1-3-6(8)7-4-9-11-5(2)10-7/h4,6H,3,8H2,1-2H3.
What are the key properties of 1-(3-methyl-1,2,4-triazin-5-yl)propan-1-amine?
1-(3-methyl-1,2,4-triazin-5-yl)propan-1-amine has a molecular weight of 152.20 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1,2,4-triazin-5-yl)propan-1-amine is sourced from PubChem (CID 82417055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).