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

C7H11ClN4O — CID 114999418

IUPAC3-chloro-N-(3-methoxypropyl)-1,2,4-triazin-5-amine
SMILESCOCCCNc1cnnc(Cl)n1
InChIInChI=1S/C7H11ClN4O/c1-13-4-2-3-9-6-5-10-12-7(8)11-6/h5H,2-4H2,1H3,(H,9,11,12)
InChIKeyZBTLCYJXFBKMRX-UHFFFAOYSA-N
MW202.64 g/mol
LogP0.97
Rot. Bonds5

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

3-chloro-N-(3-methoxypropyl)-1,2,4-triazin-5-amine (PubChem CID 114999418) has the molecular formula C7H11ClN4O and a molecular weight of 202.64 g/mol. Its IUPAC name is 3-chloro-N-(3-methoxypropyl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3-chloro-N-(3-methoxypropyl)-1,2,4-triazin-5-amine
PubChem CID114999418
Molecular FormulaC7H11ClN4O
Molecular Weight202.64 g/mol
Exact Mass202.06
IUPAC Name3-chloro-N-(3-methoxypropyl)-1,2,4-triazin-5-amine
SMILESCOCCCNc1cnnc(Cl)n1
InChIInChI=1S/C7H11ClN4O/c1-13-4-2-3-9-6-5-10-12-7(8)11-6/h5H,2-4H2,1H3,(H,9,11,12)
InChIKeyZBTLCYJXFBKMRX-UHFFFAOYSA-N
XLogP0.97
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.64
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-pentyl-1,2,4-triazin-5-amine
CID 114999369
3-[(3-chloro-1,2,4-triazin-5-yl)amino]propan-1-ol
CID 114998205
2-chloro-N-(3-methoxypropyl)pyrimidin-4-amine
CID 62343653
methyl 2-[(3-chloro-1,2,4-triazin-5-yl)amino]acetate
CID 114999415
3-N-(3-methoxypropyl)-5-N-prop-2-enyl-1,2,4-triazine-3,5-diamine
CID 112939491
2-chloro-N-(4-methoxybutyl)-6-methylpyrimidin-4-amine
CID 62480987
5-N-(2-chlorophenyl)-3-N-(3-methoxypropyl)-1,2,4-triazine-3,5-diamine
CID 112943949
3-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-N-(3-methoxypropyl)-1,2,4-triazine-3,5-diamine
CID 112943826
3-N-[4-[(4-chlorophenyl)methoxy]phenyl]-5-N-(3-methoxypropyl)-1,2,4-triazine-3,5-diamine
CID 112943828
3-N-[2-(2-methoxyphenyl)ethyl]-5-N-(3-methoxypropyl)-1,2,4-triazine-3,5-diamine
CID 112943696
3-N-(3-bromo-4-methylphenyl)-5-N-(3-methoxypropyl)-1,2,4-triazine-3,5-diamine
CID 112943778
1-[(3-chloro-1,2,4-triazin-5-yl)amino]propan-2-ol
CID 82237449

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-methoxypropyl)-1,2,4-triazin-5-amine?
The IUPAC name of 3-chloro-N-(3-methoxypropyl)-1,2,4-triazin-5-amine (CID 114999418) is 3-chloro-N-(3-methoxypropyl)-1,2,4-triazin-5-amine.
What is the SMILES notation for 3-chloro-N-(3-methoxypropyl)-1,2,4-triazin-5-amine?
The canonical SMILES for 3-chloro-N-(3-methoxypropyl)-1,2,4-triazin-5-amine is COCCCNc1cnnc(Cl)n1.
What is the InChIKey of 3-chloro-N-(3-methoxypropyl)-1,2,4-triazin-5-amine?
The InChIKey is ZBTLCYJXFBKMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN4O/c1-13-4-2-3-9-6-5-10-12-7(8)11-6/h5H,2-4H2,1H3,(H,9,11,12).
What are the key properties of 3-chloro-N-(3-methoxypropyl)-1,2,4-triazin-5-amine?
3-chloro-N-(3-methoxypropyl)-1,2,4-triazin-5-amine has a molecular weight of 202.64 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3-methoxypropyl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 114999418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).