N-[(5-ethylthiophen-2-yl)methyl]-1,2,4-benzotriazin-3-amine

C14H14N4S — CID 106013235

IUPACN-[(5-ethylthiophen-2-yl)methyl]-1,2,4-benzotriazin-3-amine
SMILESCCc1ccc(CNc2nnc3ccccc3n2)s1
InChIInChI=1S/C14H14N4S/c1-2-10-7-8-11(19-10)9-15-14-16-12-5-3-4-6-13(12)17-18-14/h3-8H,2,9H2,1H3,(H,15,16,18)
InChIKeyKNVUFWADXVEYPX-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.26
Rot. Bonds4

About N-[(5-ethylthiophen-2-yl)methyl]-1,2,4-benzotriazin-3-amine

N-[(5-ethylthiophen-2-yl)methyl]-1,2,4-benzotriazin-3-amine (PubChem CID 106013235) has the molecular formula C14H14N4S and a molecular weight of 270.36 g/mol. Its IUPAC name is N-[(5-ethylthiophen-2-yl)methyl]-1,2,4-benzotriazin-3-amine.

Molecular Properties

Compound NameN-[(5-ethylthiophen-2-yl)methyl]-1,2,4-benzotriazin-3-amine
PubChem CID106013235
Molecular FormulaC14H14N4S
Molecular Weight270.36 g/mol
Exact Mass270.09
IUPAC NameN-[(5-ethylthiophen-2-yl)methyl]-1,2,4-benzotriazin-3-amine
SMILESCCc1ccc(CNc2nnc3ccccc3n2)s1
InChIInChI=1S/C14H14N4S/c1-2-10-7-8-11(19-10)9-15-14-16-12-5-3-4-6-13(12)17-18-14/h3-8H,2,9H2,1H3,(H,15,16,18)
InChIKeyKNVUFWADXVEYPX-UHFFFAOYSA-N
XLogP3.26
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-ethylthiophen-2-yl)methyl]-2H-tetrazol-5-amine
CID 131141119
N-[(3-methylthiophen-2-yl)methyl]-1,2,4-benzotriazin-3-amine
CID 103204399
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,4-benzotriazin-3-amine
CID 114184263
N-[(5-ethylthiophen-2-yl)methyl]-5-iodopyrimidin-2-amine
CID 104840172
6-N-[(5-ethylthiophen-2-yl)methyl]-2-N-propylpyridine-2,6-diamine
CID 106015208
N-[(5-ethylthiophen-2-yl)methyl]hydroxylamine
CID 82686078
N-[(4-propan-2-ylphenyl)methyl]-1,2,4-benzotriazin-3-amine
CID 103204232
N-[(5-ethylthiophen-2-yl)methyl]pyridin-4-amine
CID 103095282
N-(2-ethoxypropyl)-1,2,4-benzotriazin-3-amine
CID 103204496
N-(2-chloro-3-ethylpentyl)-1,2,4-benzotriazin-3-amine
CID 106286752
methyl 3-(1,2,4-benzotriazin-3-ylamino)propanoate
CID 103204118
2,5-diethylthiophene
CID 521294

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-1,2,4-benzotriazin-3-amine?
The IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-1,2,4-benzotriazin-3-amine (CID 106013235) is N-[(5-ethylthiophen-2-yl)methyl]-1,2,4-benzotriazin-3-amine.
What is the SMILES notation for N-[(5-ethylthiophen-2-yl)methyl]-1,2,4-benzotriazin-3-amine?
The canonical SMILES for N-[(5-ethylthiophen-2-yl)methyl]-1,2,4-benzotriazin-3-amine is CCc1ccc(CNc2nnc3ccccc3n2)s1.
What is the InChIKey of N-[(5-ethylthiophen-2-yl)methyl]-1,2,4-benzotriazin-3-amine?
The InChIKey is KNVUFWADXVEYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4S/c1-2-10-7-8-11(19-10)9-15-14-16-12-5-3-4-6-13(12)17-18-14/h3-8H,2,9H2,1H3,(H,15,16,18).
What are the key properties of N-[(5-ethylthiophen-2-yl)methyl]-1,2,4-benzotriazin-3-amine?
N-[(5-ethylthiophen-2-yl)methyl]-1,2,4-benzotriazin-3-amine has a molecular weight of 270.36 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylthiophen-2-yl)methyl]-1,2,4-benzotriazin-3-amine is sourced from PubChem (CID 106013235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).