4-(3-methoxypropyl)-1,3,5-triazin-2-amine

C7H12N4O — CID 65093594

IUPAC4-(3-methoxypropyl)-1,3,5-triazin-2-amine
SMILESCOCCCc1ncnc(N)n1
InChIInChI=1S/C7H12N4O/c1-12-4-2-3-6-9-5-10-7(8)11-6/h5H,2-4H2,1H3,(H2,8,9,10,11)
InChIKeyORDIXPBFHFZOLK-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.03
Rot. Bonds4

About 4-(3-methoxypropyl)-1,3,5-triazin-2-amine

4-(3-methoxypropyl)-1,3,5-triazin-2-amine (PubChem CID 65093594) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is 4-(3-methoxypropyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(3-methoxypropyl)-1,3,5-triazin-2-amine
PubChem CID65093594
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Name4-(3-methoxypropyl)-1,3,5-triazin-2-amine
SMILESCOCCCc1ncnc(N)n1
InChIInChI=1S/C7H12N4O/c1-12-4-2-3-6-9-5-10-7(8)11-6/h5H,2-4H2,1H3,(H2,8,9,10,11)
InChIKeyORDIXPBFHFZOLK-UHFFFAOYSA-N
XLogP0.03
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(3-methoxypropyl)-1,3,5-triazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1,3,5-Triazinyl)-4,5-dihydroisoxazole
CID 129877875
4-[2-(2,2,2-Trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine
CID 103151153
4-[2-(2,2-Difluoroethoxy)ethyl]-1,3,5-triazin-2-amine
CID 103151154
4-Ethyl-1,3,5-triazin-2-amine
CID 35089
2-Ethyl-4-methoxy-1,3,5-triazine
CID 18953273
2-(Oxiran-2-ylmethyl)-1,3,5-triazine
CID 53814122
4-(Butoxymethyl)-1,3,5-triazin-2-amine
CID 53966272
4-(Methoxymethyl)-1,3,5-triazin-2-amine
CID 54305662
4-(Propoxymethyl)-1,3,5-triazin-2-amine
CID 54569130
3-(1,3,5-Triazin-2-yl)propan-1-ol
CID 57445386
4-(2-Methoxyethyl)-1,3,5-triazin-2-amine
CID 63868455
4-(n-Propyl)-1,3,5-triazin-2-amine
CID 63868846

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxypropyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-(3-methoxypropyl)-1,3,5-triazin-2-amine (CID 65093594) is 4-(3-methoxypropyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(3-methoxypropyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(3-methoxypropyl)-1,3,5-triazin-2-amine is COCCCc1ncnc(N)n1.
What is the InChIKey of 4-(3-methoxypropyl)-1,3,5-triazin-2-amine?
The InChIKey is ORDIXPBFHFZOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c1-12-4-2-3-6-9-5-10-7(8)11-6/h5H,2-4H2,1H3,(H2,8,9,10,11).
What are the key properties of 4-(3-methoxypropyl)-1,3,5-triazin-2-amine?
4-(3-methoxypropyl)-1,3,5-triazin-2-amine has a molecular weight of 168.20 g/mol, XLogP of 0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxypropyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 65093594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).