3-chloro-N-methyl-N-(oxan-4-yl)-1,2,4-triazin-5-amine

C9H13ClN4O — CID 115000778

IUPAC3-chloro-N-methyl-N-(oxan-4-yl)-1,2,4-triazin-5-amine
SMILESCN(c1cnnc(Cl)n1)C1CCOCC1
InChIInChI=1S/C9H13ClN4O/c1-14(7-2-4-15-5-3-7)8-6-11-13-9(10)12-8/h6-7H,2-5H2,1H3
InChIKeyPPOMWYYWWRQKQN-UHFFFAOYSA-N
MW228.68 g/mol
LogP1.14
Rot. Bonds2

About 3-chloro-N-methyl-N-(oxan-4-yl)-1,2,4-triazin-5-amine

3-chloro-N-methyl-N-(oxan-4-yl)-1,2,4-triazin-5-amine (PubChem CID 115000778) has the molecular formula C9H13ClN4O and a molecular weight of 228.68 g/mol. Its IUPAC name is 3-chloro-N-methyl-N-(oxan-4-yl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3-chloro-N-methyl-N-(oxan-4-yl)-1,2,4-triazin-5-amine
PubChem CID115000778
Molecular FormulaC9H13ClN4O
Molecular Weight228.68 g/mol
Exact Mass228.08
IUPAC Name3-chloro-N-methyl-N-(oxan-4-yl)-1,2,4-triazin-5-amine
SMILESCN(c1cnnc(Cl)n1)C1CCOCC1
InChIInChI=1S/C9H13ClN4O/c1-14(7-2-4-15-5-3-7)8-6-11-13-9(10)12-8/h6-7H,2-5H2,1H3
InChIKeyPPOMWYYWWRQKQN-UHFFFAOYSA-N
XLogP1.14
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-methyl-N-(2-methylcyclohexyl)-1,2,4-triazin-5-amine
CID 115000546
6-chloro-N-methyl-N-(oxan-4-yl)pyrimidin-4-amine
CID 61279787
6-chloro-N-methyl-4-nitro-N-(oxan-4-yl)pyridin-2-amine
CID 103888875
3-chloro-N-methyl-N-(oxan-2-ylmethyl)-1,2,4-triazin-5-amine
CID 115001102
2-chloro-N-methyl-N-(oxan-4-yl)thieno[2,3-d]pyrimidin-4-amine
CID 103320724
N-methyl-6-(methylaminomethyl)-N-(oxan-4-yl)pyrazin-2-amine
CID 66457022
2-N,4-N-dimethyl-4-N-(oxan-4-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564203
5-bromo-3-chloro-N-methyl-N-(oxan-4-yl)pyridin-2-amine
CID 103580325
5-bromo-N,4-dimethyl-N-(oxan-4-yl)pyridin-2-amine
CID 115774207
3-chloro-N-methyl-N-propyl-1,2,4-triazin-5-amine
CID 114998180
2,5-dichloro-N-methyl-N-(oxolan-3-yl)pyrimidin-4-amine
CID 82748113
6-[methyl(oxan-4-yl)amino]pyridine-2-carbonitrile
CID 64594895

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-methyl-N-(oxan-4-yl)-1,2,4-triazin-5-amine?
The IUPAC name of 3-chloro-N-methyl-N-(oxan-4-yl)-1,2,4-triazin-5-amine (CID 115000778) is 3-chloro-N-methyl-N-(oxan-4-yl)-1,2,4-triazin-5-amine.
What is the SMILES notation for 3-chloro-N-methyl-N-(oxan-4-yl)-1,2,4-triazin-5-amine?
The canonical SMILES for 3-chloro-N-methyl-N-(oxan-4-yl)-1,2,4-triazin-5-amine is CN(c1cnnc(Cl)n1)C1CCOCC1.
What is the InChIKey of 3-chloro-N-methyl-N-(oxan-4-yl)-1,2,4-triazin-5-amine?
The InChIKey is PPOMWYYWWRQKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN4O/c1-14(7-2-4-15-5-3-7)8-6-11-13-9(10)12-8/h6-7H,2-5H2,1H3.
What are the key properties of 3-chloro-N-methyl-N-(oxan-4-yl)-1,2,4-triazin-5-amine?
3-chloro-N-methyl-N-(oxan-4-yl)-1,2,4-triazin-5-amine has a molecular weight of 228.68 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-methyl-N-(oxan-4-yl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 115000778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).