3-chloro-N-ethyl-N-(furan-2-ylmethyl)-1,2,4-triazin-5-amine

C10H11ClN4O — CID 115001296

IUPAC3-chloro-N-ethyl-N-(furan-2-ylmethyl)-1,2,4-triazin-5-amine
SMILESCCN(Cc1ccco1)c1cnnc(Cl)n1
InChIInChI=1S/C10H11ClN4O/c1-2-15(7-8-4-3-5-16-8)9-6-12-14-10(11)13-9/h3-6H,2,7H2,1H3
InChIKeyHTDIHIQDIITYPG-UHFFFAOYSA-N
MW238.68 g/mol
LogP2.14
Rot. Bonds4

About 3-chloro-N-ethyl-N-(furan-2-ylmethyl)-1,2,4-triazin-5-amine

3-chloro-N-ethyl-N-(furan-2-ylmethyl)-1,2,4-triazin-5-amine (PubChem CID 115001296) has the molecular formula C10H11ClN4O and a molecular weight of 238.68 g/mol. Its IUPAC name is 3-chloro-N-ethyl-N-(furan-2-ylmethyl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3-chloro-N-ethyl-N-(furan-2-ylmethyl)-1,2,4-triazin-5-amine
PubChem CID115001296
Molecular FormulaC10H11ClN4O
Molecular Weight238.68 g/mol
Exact Mass238.06
IUPAC Name3-chloro-N-ethyl-N-(furan-2-ylmethyl)-1,2,4-triazin-5-amine
SMILESCCN(Cc1ccco1)c1cnnc(Cl)n1
InChIInChI=1S/C10H11ClN4O/c1-2-15(7-8-4-3-5-16-8)9-6-12-14-10(11)13-9/h3-6H,2,7H2,1H3
InChIKeyHTDIHIQDIITYPG-UHFFFAOYSA-N
XLogP2.14
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.68
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-4-N-ethyl-4-N-(furan-2-ylmethyl)pyrimidine-4,5-diamine
CID 114043650
5-N-benzyl-5-N-ethyl-3-N-(furan-2-ylmethyl)-1,2,4-triazine-3,5-diamine
CID 112947355
6-[ethyl(furan-2-ylmethyl)amino]pyrazine-2-carboxylic acid
CID 66456851
4-N-ethyl-4-N-(furan-2-ylmethyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564325
6-chloro-2-N-ethyl-2-N-(furan-2-ylmethyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80796768
N-ethyl-N-(furan-2-ylmethyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 80896307
4-N-ethyl-4-N-(furan-2-ylmethyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80796536
N-ethyl-6-fluoro-N-(furan-2-ylmethyl)pyrimidin-4-amine
CID 115416612
2-chloro-N-ethyl-N-(furan-2-ylmethyl)-7H-purin-6-amine
CID 104787205
N-ethyl-N-(furan-2-ylmethyl)-5-[(propan-2-ylamino)methyl]pyrazin-2-amine
CID 107379760
5-amino-2-[ethyl(furan-2-ylmethyl)amino]pyridine-4-carboxylic acid
CID 114090156
4-chloro-6-[ethyl(furan-2-ylmethyl)amino]-2-methylpyrimidine-5-carbaldehyde
CID 80731733

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-ethyl-N-(furan-2-ylmethyl)-1,2,4-triazin-5-amine?
The IUPAC name of 3-chloro-N-ethyl-N-(furan-2-ylmethyl)-1,2,4-triazin-5-amine (CID 115001296) is 3-chloro-N-ethyl-N-(furan-2-ylmethyl)-1,2,4-triazin-5-amine.
What is the SMILES notation for 3-chloro-N-ethyl-N-(furan-2-ylmethyl)-1,2,4-triazin-5-amine?
The canonical SMILES for 3-chloro-N-ethyl-N-(furan-2-ylmethyl)-1,2,4-triazin-5-amine is CCN(Cc1ccco1)c1cnnc(Cl)n1.
What is the InChIKey of 3-chloro-N-ethyl-N-(furan-2-ylmethyl)-1,2,4-triazin-5-amine?
The InChIKey is HTDIHIQDIITYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O/c1-2-15(7-8-4-3-5-16-8)9-6-12-14-10(11)13-9/h3-6H,2,7H2,1H3.
What are the key properties of 3-chloro-N-ethyl-N-(furan-2-ylmethyl)-1,2,4-triazin-5-amine?
3-chloro-N-ethyl-N-(furan-2-ylmethyl)-1,2,4-triazin-5-amine has a molecular weight of 238.68 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-ethyl-N-(furan-2-ylmethyl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 115001296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).