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

C10H15ClN4O — CID 115001102

IUPAC3-chloro-N-methyl-N-(oxan-2-ylmethyl)-1,2,4-triazin-5-amine
SMILESCN(CC1CCCCO1)c1cnnc(Cl)n1
InChIInChI=1S/C10H15ClN4O/c1-15(7-8-4-2-3-5-16-8)9-6-12-14-10(11)13-9/h6,8H,2-5,7H2,1H3
InChIKeyMTZWBFWHTGWFHM-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.53
Rot. Bonds3

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

3-chloro-N-methyl-N-(oxan-2-ylmethyl)-1,2,4-triazin-5-amine (PubChem CID 115001102) has the molecular formula C10H15ClN4O and a molecular weight of 242.71 g/mol. Its IUPAC name is 3-chloro-N-methyl-N-(oxan-2-ylmethyl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3-chloro-N-methyl-N-(oxan-2-ylmethyl)-1,2,4-triazin-5-amine
PubChem CID115001102
Molecular FormulaC10H15ClN4O
Molecular Weight242.71 g/mol
Exact Mass242.09
IUPAC Name3-chloro-N-methyl-N-(oxan-2-ylmethyl)-1,2,4-triazin-5-amine
SMILESCN(CC1CCCCO1)c1cnnc(Cl)n1
InChIInChI=1S/C10H15ClN4O/c1-15(7-8-4-2-3-5-16-8)9-6-12-14-10(11)13-9/h6,8H,2-5,7H2,1H3
InChIKeyMTZWBFWHTGWFHM-UHFFFAOYSA-N
XLogP1.53
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-N-methyl-N-(oxan-2-ylmethyl)pyrazin-2-amine
CID 61362605
[3-chloro-6-[methyl(oxan-2-ylmethyl)amino]-2-pyridinyl]methanol
CID 61436346
5-chloro-2-N,4-N-dimethyl-2-N,4-N-bis[[(2S)-oxan-2-yl]methyl]pyrimidine-2,4-diamine
CID 96526341
6-chloro-N-methyl-N-(oxan-2-ylmethyl)-2-propylpyrimidin-4-amine
CID 80938173
5-bromo-N,6-dimethyl-N-(oxan-2-ylmethyl)pyridin-2-amine
CID 103915128
N-methyl-N-(oxan-2-ylmethyl)quinolin-2-amine
CID 133271800
[5-[methyl(oxolan-2-ylmethyl)amino]pyrazin-2-yl]methanol
CID 107372756
5-(bromomethyl)-N-methyl-N-(oxan-2-ylmethyl)pyridin-2-amine
CID 107081253
6-hydrazinyl-N-methyl-N-(oxolan-2-ylmethyl)pyrazin-2-amine
CID 80896092
N-methyl-6-(methylaminomethyl)-N-(oxan-2-ylmethyl)pyridazin-3-amine
CID 62281999
6-N-ethyl-2-N-methyl-2-N-(oxolan-2-ylmethyl)pyrazine-2,6-diamine
CID 79771132
3-chloro-N-methyl-N-(oxan-4-yl)-1,2,4-triazin-5-amine
CID 115000778

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-methyl-N-(oxan-2-ylmethyl)-1,2,4-triazin-5-amine?
The IUPAC name of 3-chloro-N-methyl-N-(oxan-2-ylmethyl)-1,2,4-triazin-5-amine (CID 115001102) is 3-chloro-N-methyl-N-(oxan-2-ylmethyl)-1,2,4-triazin-5-amine.
What is the SMILES notation for 3-chloro-N-methyl-N-(oxan-2-ylmethyl)-1,2,4-triazin-5-amine?
The canonical SMILES for 3-chloro-N-methyl-N-(oxan-2-ylmethyl)-1,2,4-triazin-5-amine is CN(CC1CCCCO1)c1cnnc(Cl)n1.
What is the InChIKey of 3-chloro-N-methyl-N-(oxan-2-ylmethyl)-1,2,4-triazin-5-amine?
The InChIKey is MTZWBFWHTGWFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O/c1-15(7-8-4-2-3-5-16-8)9-6-12-14-10(11)13-9/h6,8H,2-5,7H2,1H3.
What are the key properties of 3-chloro-N-methyl-N-(oxan-2-ylmethyl)-1,2,4-triazin-5-amine?
3-chloro-N-methyl-N-(oxan-2-ylmethyl)-1,2,4-triazin-5-amine has a molecular weight of 242.71 g/mol, XLogP of 1.53, 3 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-2-ylmethyl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 115001102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).