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

C8H10Cl2N4O — CID 81037138

IUPAC3,6-dichloro-N-(oxolan-2-ylmethyl)-1,2,4-triazin-5-amine
SMILESClc1nnc(Cl)c(NCC2CCCO2)n1
InChIInChI=1S/C8H10Cl2N4O/c9-6-7(12-8(10)14-13-6)11-4-5-2-1-3-15-5/h5H,1-4H2,(H,11,12,14)
InChIKeyPPQCRLNLJPDTFA-UHFFFAOYSA-N
MW249.10 g/mol
LogP1.77
Rot. Bonds3

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

3,6-dichloro-N-(oxolan-2-ylmethyl)-1,2,4-triazin-5-amine (PubChem CID 81037138) has the molecular formula C8H10Cl2N4O and a molecular weight of 249.10 g/mol. Its IUPAC name is 3,6-dichloro-N-(oxolan-2-ylmethyl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3,6-dichloro-N-(oxolan-2-ylmethyl)-1,2,4-triazin-5-amine
PubChem CID81037138
Molecular FormulaC8H10Cl2N4O
Molecular Weight249.10 g/mol
Exact Mass248.02
IUPAC Name3,6-dichloro-N-(oxolan-2-ylmethyl)-1,2,4-triazin-5-amine
SMILESClc1nnc(Cl)c(NCC2CCCO2)n1
InChIInChI=1S/C8H10Cl2N4O/c9-6-7(12-8(10)14-13-6)11-4-5-2-1-3-15-5/h5H,1-4H2,(H,11,12,14)
InChIKeyPPQCRLNLJPDTFA-UHFFFAOYSA-N
XLogP1.77
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.10
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-6-methyl-4-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-4,5-diamine
CID 7147197
3,5,6-trichloro-N-(oxan-2-ylmethyl)pyridin-2-amine
CID 102750819
6-chloro-2-cyclopropyl-5-methyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 80970322
2-chloro-6-methyl-5-nitro-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-4-amine
CID 7147270
2-chloro-6-methyl-5-nitro-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-4-amine
CID 7147271
6-chloro-2-ethyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5-diamine
CID 82459193
6-chloro-5-methyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 63729583
4,6-dichloro-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-2-amine
CID 124585342
N-[[(2R)-oxolan-2-yl]methyl]-3,4-dihydro-2H-pyrrol-5-amine
CID 2123866
4-chloro-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine
CID 117101118
3-methyl-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 62254757
3-chloro-2-(oxolan-2-ylmethylamino)pyridine-4-carboxylic acid
CID 107061826

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-(oxolan-2-ylmethyl)-1,2,4-triazin-5-amine?
The IUPAC name of 3,6-dichloro-N-(oxolan-2-ylmethyl)-1,2,4-triazin-5-amine (CID 81037138) is 3,6-dichloro-N-(oxolan-2-ylmethyl)-1,2,4-triazin-5-amine.
What is the SMILES notation for 3,6-dichloro-N-(oxolan-2-ylmethyl)-1,2,4-triazin-5-amine?
The canonical SMILES for 3,6-dichloro-N-(oxolan-2-ylmethyl)-1,2,4-triazin-5-amine is Clc1nnc(Cl)c(NCC2CCCO2)n1.
What is the InChIKey of 3,6-dichloro-N-(oxolan-2-ylmethyl)-1,2,4-triazin-5-amine?
The InChIKey is PPQCRLNLJPDTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl2N4O/c9-6-7(12-8(10)14-13-6)11-4-5-2-1-3-15-5/h5H,1-4H2,(H,11,12,14).
What are the key properties of 3,6-dichloro-N-(oxolan-2-ylmethyl)-1,2,4-triazin-5-amine?
3,6-dichloro-N-(oxolan-2-ylmethyl)-1,2,4-triazin-5-amine has a molecular weight of 249.10 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-(oxolan-2-ylmethyl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 81037138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).