3-chloro-N-[1-(oxolan-2-yl)ethyl]-1,2,4-triazin-5-amine

C9H13ClN4O — CID 82237452

IUPAC3-chloro-N-[1-(oxolan-2-yl)ethyl]-1,2,4-triazin-5-amine
SMILESCC(Nc1cnnc(Cl)n1)C1CCCO1
InChIInChI=1S/C9H13ClN4O/c1-6(7-3-2-4-15-7)12-8-5-11-14-9(10)13-8/h5-7H,2-4H2,1H3,(H,12,13,14)
InChIKeyHYGMSAIFNSPBLW-UHFFFAOYSA-N
MW228.68 g/mol
LogP1.50
Rot. Bonds3

About 3-chloro-N-[1-(oxolan-2-yl)ethyl]-1,2,4-triazin-5-amine

3-chloro-N-[1-(oxolan-2-yl)ethyl]-1,2,4-triazin-5-amine (PubChem CID 82237452) has the molecular formula C9H13ClN4O and a molecular weight of 228.68 g/mol. Its IUPAC name is 3-chloro-N-[1-(oxolan-2-yl)ethyl]-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3-chloro-N-[1-(oxolan-2-yl)ethyl]-1,2,4-triazin-5-amine
PubChem CID82237452
Molecular FormulaC9H13ClN4O
Molecular Weight228.68 g/mol
Exact Mass228.08
IUPAC Name3-chloro-N-[1-(oxolan-2-yl)ethyl]-1,2,4-triazin-5-amine
SMILESCC(Nc1cnnc(Cl)n1)C1CCCO1
InChIInChI=1S/C9H13ClN4O/c1-6(7-3-2-4-15-7)12-8-5-11-14-9(10)13-8/h5-7H,2-4H2,1H3,(H,12,13,14)
InChIKeyHYGMSAIFNSPBLW-UHFFFAOYSA-N
XLogP1.50
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dichloro-N-[1-(oxolan-2-yl)ethyl]pyrimidin-4-amine
CID 79632789
2-chloro-5-fluoro-N-[1-(oxolan-2-yl)ethyl]pyrimidin-4-amine
CID 79081832
N-[1-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
CID 130840823
6-chloro-2-N-[1-(oxolan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 80780773
4,5-dimethyl-N-[1-(oxolan-2-yl)ethyl]-1,3-thiazol-2-amine
CID 65169694
2-methyl-4-N-[1-(oxolan-2-yl)ethyl]pyrimidine-4,6-diamine
CID 80780884
6-chloro-N-[1-(oxolan-2-yl)ethyl]-2-propylpyrimidin-4-amine
CID 80940573
N-[1-(oxolan-2-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine
CID 133290907
4-chloro-5-[1-(oxolan-2-yl)ethylamino]-2-propan-2-ylpyridazin-3-one
CID 114433352
2-N,5-dimethyl-4-N-[1-(oxolan-2-yl)ethyl]pyrimidine-2,4-diamine
CID 80780776
6-N-methyl-2-methylsulfanyl-4-N-[1-(oxolan-2-yl)ethyl]pyrimidine-4,6-diamine
CID 80782113
4-N-[1-(oxolan-2-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770784

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(oxolan-2-yl)ethyl]-1,2,4-triazin-5-amine?
The IUPAC name of 3-chloro-N-[1-(oxolan-2-yl)ethyl]-1,2,4-triazin-5-amine (CID 82237452) is 3-chloro-N-[1-(oxolan-2-yl)ethyl]-1,2,4-triazin-5-amine.
What is the SMILES notation for 3-chloro-N-[1-(oxolan-2-yl)ethyl]-1,2,4-triazin-5-amine?
The canonical SMILES for 3-chloro-N-[1-(oxolan-2-yl)ethyl]-1,2,4-triazin-5-amine is CC(Nc1cnnc(Cl)n1)C1CCCO1.
What is the InChIKey of 3-chloro-N-[1-(oxolan-2-yl)ethyl]-1,2,4-triazin-5-amine?
The InChIKey is HYGMSAIFNSPBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN4O/c1-6(7-3-2-4-15-7)12-8-5-11-14-9(10)13-8/h5-7H,2-4H2,1H3,(H,12,13,14).
What are the key properties of 3-chloro-N-[1-(oxolan-2-yl)ethyl]-1,2,4-triazin-5-amine?
3-chloro-N-[1-(oxolan-2-yl)ethyl]-1,2,4-triazin-5-amine has a molecular weight of 228.68 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-(oxolan-2-yl)ethyl]-1,2,4-triazin-5-amine is sourced from PubChem (CID 82237452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).