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

C10H18N4 — CID 105448485

IUPACN-methyl-3-(5-propyl-1,2,4-triazin-3-yl)propan-1-amine
SMILESCCCc1cnnc(CCCNC)n1
InChIInChI=1S/C10H18N4/c1-3-5-9-8-12-14-10(13-9)6-4-7-11-2/h8,11H,3-7H2,1-2H3
InChIKeyHMYGXYVRGFAALY-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.98
Rot. Bonds6

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

N-methyl-3-(5-propyl-1,2,4-triazin-3-yl)propan-1-amine (PubChem CID 105448485) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is N-methyl-3-(5-propyl-1,2,4-triazin-3-yl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(5-propyl-1,2,4-triazin-3-yl)propan-1-amine
PubChem CID105448485
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC NameN-methyl-3-(5-propyl-1,2,4-triazin-3-yl)propan-1-amine
SMILESCCCc1cnnc(CCCNC)n1
InChIInChI=1S/C10H18N4/c1-3-5-9-8-12-14-10(13-9)6-4-7-11-2/h8,11H,3-7H2,1-2H3
InChIKeyHMYGXYVRGFAALY-UHFFFAOYSA-N
XLogP0.98
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(5-propyl-1,2,4-triazin-3-yl)propanoic acid
CID 105448909
3-(4,6-dimethyl-2-propylpyrimidin-5-yl)-N-methylpropan-1-amine
CID 62745255
N-methyl-3-(2-propyl-1,3-thiazol-5-yl)propan-1-amine
CID 115091707
N-methyl-3-(4-propyl-1,2,4-triazol-3-yl)propan-1-amine
CID 62692198
N-methyl-2-[5-(oxan-2-yl)-1,2,4-triazin-3-yl]ethanamine
CID 105479389
N-methyl-3-(2H-triazol-4-yl)propan-1-amine
CID 146259067
3-piperidin-4-yl-5-propyl-1,2,4-triazine
CID 105459553
3-(5-methyl-1,2,4-triazin-3-yl)propan-1-amine
CID 82417070
N-methyl-3-(1,2,5-thiadiazol-3-yl)propan-1-amine
CID 130815357
N-methyl-3-(1-propan-2-yl-5-propylpyrazol-4-yl)propan-1-amine
CID 105481361
N-methyl-3-(1-propan-2-yl-5-propylpyrazol-3-yl)propan-1-amine
CID 105481332
3-[(3,6-dipropylpyrazin-2-yl)methyl]-2,5-dipropylpyrazine
CID 59188431

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(5-propyl-1,2,4-triazin-3-yl)propan-1-amine?
The IUPAC name of N-methyl-3-(5-propyl-1,2,4-triazin-3-yl)propan-1-amine (CID 105448485) is N-methyl-3-(5-propyl-1,2,4-triazin-3-yl)propan-1-amine.
What is the SMILES notation for N-methyl-3-(5-propyl-1,2,4-triazin-3-yl)propan-1-amine?
The canonical SMILES for N-methyl-3-(5-propyl-1,2,4-triazin-3-yl)propan-1-amine is CCCc1cnnc(CCCNC)n1.
What is the InChIKey of N-methyl-3-(5-propyl-1,2,4-triazin-3-yl)propan-1-amine?
The InChIKey is HMYGXYVRGFAALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-3-5-9-8-12-14-10(13-9)6-4-7-11-2/h8,11H,3-7H2,1-2H3.
What are the key properties of N-methyl-3-(5-propyl-1,2,4-triazin-3-yl)propan-1-amine?
N-methyl-3-(5-propyl-1,2,4-triazin-3-yl)propan-1-amine has a molecular weight of 194.28 g/mol, XLogP of 0.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(5-propyl-1,2,4-triazin-3-yl)propan-1-amine is sourced from PubChem (CID 105448485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).