3,6-dichloro-N-(3-propoxypropyl)-1,2,4-triazin-5-amine

C9H14Cl2N4O — CID 82943113

IUPAC3,6-dichloro-N-(3-propoxypropyl)-1,2,4-triazin-5-amine
SMILESCCCOCCCNc1nc(Cl)nnc1Cl
InChIInChI=1S/C9H14Cl2N4O/c1-2-5-16-6-3-4-12-8-7(10)14-15-9(11)13-8/h2-6H2,1H3,(H,12,13,15)
InChIKeyVKDVQZHMAACEKM-UHFFFAOYSA-N
MW265.14 g/mol
LogP2.41
Rot. Bonds7

About 3,6-dichloro-N-(3-propoxypropyl)-1,2,4-triazin-5-amine

3,6-dichloro-N-(3-propoxypropyl)-1,2,4-triazin-5-amine (PubChem CID 82943113) has the molecular formula C9H14Cl2N4O and a molecular weight of 265.14 g/mol. Its IUPAC name is 3,6-dichloro-N-(3-propoxypropyl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3,6-dichloro-N-(3-propoxypropyl)-1,2,4-triazin-5-amine
PubChem CID82943113
Molecular FormulaC9H14Cl2N4O
Molecular Weight265.14 g/mol
Exact Mass264.05
IUPAC Name3,6-dichloro-N-(3-propoxypropyl)-1,2,4-triazin-5-amine
SMILESCCCOCCCNc1nc(Cl)nnc1Cl
InChIInChI=1S/C9H14Cl2N4O/c1-2-5-16-6-3-4-12-8-7(10)14-15-9(11)13-8/h2-6H2,1H3,(H,12,13,15)
InChIKeyVKDVQZHMAACEKM-UHFFFAOYSA-N
XLogP2.41
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.14
LogP ≤ 52.41
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

2-chloro-6-methyl-4-N-(3-propoxypropyl)pyrimidine-4,5-diamine
CID 114043935
3,5,6-trichloro-N-(3-propoxypropyl)pyridin-2-amine
CID 102751695
3-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]propan-1-ol
CID 81038146
N-(3,6-dichloro-1,2,4-triazin-5-yl)-N',N'-dimethylpropane-1,3-diamine
CID 81036688
N-(3,6-dichloro-1,2,4-triazin-5-yl)-N',N'-diethylethane-1,2-diamine
CID 81035871
3,6-dichloro-N-(3,3-difluoropropyl)-1,2,4-triazin-5-amine
CID 130631788
N-(3-butoxypropyl)-2-chloro-7H-purin-6-amine
CID 113481188
N-(3,6-dichloro-1,2,4-triazin-5-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 81035370
5-chloro-2-N-(3-propoxypropyl)pyridine-2,3-diamine
CID 82942310
3,6-dichloro-N-(3,3,3-trifluoropropyl)-1,2,4-triazin-5-amine
CID 81037431
2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-N-ethylethanesulfonamide
CID 106341596
2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-N-methylethanesulfonamide
CID 106341533

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-(3-propoxypropyl)-1,2,4-triazin-5-amine?
The IUPAC name of 3,6-dichloro-N-(3-propoxypropyl)-1,2,4-triazin-5-amine (CID 82943113) is 3,6-dichloro-N-(3-propoxypropyl)-1,2,4-triazin-5-amine.
What is the SMILES notation for 3,6-dichloro-N-(3-propoxypropyl)-1,2,4-triazin-5-amine?
The canonical SMILES for 3,6-dichloro-N-(3-propoxypropyl)-1,2,4-triazin-5-amine is CCCOCCCNc1nc(Cl)nnc1Cl.
What is the InChIKey of 3,6-dichloro-N-(3-propoxypropyl)-1,2,4-triazin-5-amine?
The InChIKey is VKDVQZHMAACEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14Cl2N4O/c1-2-5-16-6-3-4-12-8-7(10)14-15-9(11)13-8/h2-6H2,1H3,(H,12,13,15).
What are the key properties of 3,6-dichloro-N-(3-propoxypropyl)-1,2,4-triazin-5-amine?
3,6-dichloro-N-(3-propoxypropyl)-1,2,4-triazin-5-amine has a molecular weight of 265.14 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-(3-propoxypropyl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 82943113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).