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

C10H15Cl2N5O — CID 81035323

IUPAC3,6-dichloro-N-(3-morpholin-4-ylpropyl)-1,2,4-triazin-5-amine
SMILESClc1nnc(Cl)c(NCCCN2CCOCC2)n1
InChIInChI=1S/C10H15Cl2N5O/c11-8-9(14-10(12)16-15-8)13-2-1-3-17-4-6-18-7-5-17/h1-7H2,(H,13,14,16)
InChIKeyOVUDAHYJWMOODI-UHFFFAOYSA-N
MW292.17 g/mol
LogP1.31
Rot. Bonds5

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

3,6-dichloro-N-(3-morpholin-4-ylpropyl)-1,2,4-triazin-5-amine (PubChem CID 81035323) has the molecular formula C10H15Cl2N5O and a molecular weight of 292.17 g/mol. Its IUPAC name is 3,6-dichloro-N-(3-morpholin-4-ylpropyl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3,6-dichloro-N-(3-morpholin-4-ylpropyl)-1,2,4-triazin-5-amine
PubChem CID81035323
Molecular FormulaC10H15Cl2N5O
Molecular Weight292.17 g/mol
Exact Mass291.07
IUPAC Name3,6-dichloro-N-(3-morpholin-4-ylpropyl)-1,2,4-triazin-5-amine
SMILESClc1nnc(Cl)c(NCCCN2CCOCC2)n1
InChIInChI=1S/C10H15Cl2N5O/c11-8-9(14-10(12)16-15-8)13-2-1-3-17-4-6-18-7-5-17/h1-7H2,(H,13,14,16)
InChIKeyOVUDAHYJWMOODI-UHFFFAOYSA-N
XLogP1.31
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.17
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-4,5-dimethyl-N-(3-morpholin-4-ylpropyl)pyridazin-3-amine
CID 55169476
2,5-dichloro-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 79633494
4-chloro-N-(3-morpholin-4-ylpropyl)phthalazin-1-amine
CID 62141191
2,6-dichloro-5-cyclopentyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 88906606
2,6-dichloro-4-N,7-N-bis(2-morpholin-4-ylethyl)pteridine-4,7-diamine
CID 118892550
2-chloro-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine
CID 22692931
2,4,5-trichloro-6-(3-morpholin-4-ylpropylamino)pyridine-3-carbonitrile
CID 36662494
6-chloro-2-ethyl-5-methyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 79557316
3,5-dichloro-6-N-(3-morpholin-4-ylpropyl)pyridine-2,6-diamine
CID 102755807
6-chloro-5-ethyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 63729586
3-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]propan-1-ol
CID 81038146
3-N-(3-morpholin-4-ylpropyl)pyrazine-2,3-diamine
CID 113228910

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-(3-morpholin-4-ylpropyl)-1,2,4-triazin-5-amine?
The IUPAC name of 3,6-dichloro-N-(3-morpholin-4-ylpropyl)-1,2,4-triazin-5-amine (CID 81035323) is 3,6-dichloro-N-(3-morpholin-4-ylpropyl)-1,2,4-triazin-5-amine.
What is the SMILES notation for 3,6-dichloro-N-(3-morpholin-4-ylpropyl)-1,2,4-triazin-5-amine?
The canonical SMILES for 3,6-dichloro-N-(3-morpholin-4-ylpropyl)-1,2,4-triazin-5-amine is Clc1nnc(Cl)c(NCCCN2CCOCC2)n1.
What is the InChIKey of 3,6-dichloro-N-(3-morpholin-4-ylpropyl)-1,2,4-triazin-5-amine?
The InChIKey is OVUDAHYJWMOODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15Cl2N5O/c11-8-9(14-10(12)16-15-8)13-2-1-3-17-4-6-18-7-5-17/h1-7H2,(H,13,14,16).
What are the key properties of 3,6-dichloro-N-(3-morpholin-4-ylpropyl)-1,2,4-triazin-5-amine?
3,6-dichloro-N-(3-morpholin-4-ylpropyl)-1,2,4-triazin-5-amine has a molecular weight of 292.17 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-(3-morpholin-4-ylpropyl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 81035323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).