N-(2-ethoxyphenyl)tetrazolo[5,1-a]phthalazin-6-amine

C16H14N6O — CID 20934834

IUPACN-(2-ethoxyphenyl)tetrazolo[5,1-a]phthalazin-6-amine
SMILESCCOc1ccccc1Nc1nn2nnnc2c2ccccc12
InChIInChI=1S/C16H14N6O/c1-2-23-14-10-6-5-9-13(14)17-15-11-7-3-4-8-12(11)16-18-20-21-22(16)19-15/h3-10H,2H2,1H3,(H,17,19)
InChIKeyVJGDLDPDNIECKD-UHFFFAOYSA-N
MW306.33 g/mol
LogP2.81
Rot. Bonds4

About N-(2-ethoxyphenyl)tetrazolo[5,1-a]phthalazin-6-amine

N-(2-ethoxyphenyl)tetrazolo[5,1-a]phthalazin-6-amine (PubChem CID 20934834) has the molecular formula C16H14N6O and a molecular weight of 306.33 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)tetrazolo[5,1-a]phthalazin-6-amine.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)tetrazolo[5,1-a]phthalazin-6-amine
PubChem CID20934834
Molecular FormulaC16H14N6O
Molecular Weight306.33 g/mol
Exact Mass306.12
IUPAC NameN-(2-ethoxyphenyl)tetrazolo[5,1-a]phthalazin-6-amine
SMILESCCOc1ccccc1Nc1nn2nnnc2c2ccccc12
InChIInChI=1S/C16H14N6O/c1-2-23-14-10-6-5-9-13(14)17-15-11-7-3-4-8-12(11)16-18-20-21-22(16)19-15/h3-10H,2H2,1H3,(H,17,19)
InChIKeyVJGDLDPDNIECKD-UHFFFAOYSA-N
XLogP2.81
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-diethoxyphosphoryltetrazolo[5,1-a]phthalazin-6-amine
CID 4919109
N-(2-ethoxyphenyl)-8-methyltetrazolo[1,5-a]quinoxalin-4-amine
CID 22431482
N-(2-ethoxyphenyl)-3-methyltriazolo[4,5-d]pyrimidin-7-amine
CID 7659050
4-N-(2-ethoxyphenyl)quinazoline-2,4-diamine
CID 80738238
5-N,6-N-bis(2-ethoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 142482627
N-(2-ethoxyphenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 2591019
5-bromo-2-N-(2-ethoxyphenyl)pyridine-2,3-diamine
CID 61229826
2,5-dichloro-N-(2-ethoxyphenyl)pyrimidin-4-amine
CID 79632163
3-chloro-N-(2-ethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 4867160
4-N-(2-ethoxyphenyl)-2,5-dimethylpyrimidine-4,6-diamine
CID 80762592
5-chloro-4-N-(2-ethoxyphenyl)pyrimidine-4,6-diamine
CID 114049785
N-(2-ethoxyphenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 114399974

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)tetrazolo[5,1-a]phthalazin-6-amine?
The IUPAC name of N-(2-ethoxyphenyl)tetrazolo[5,1-a]phthalazin-6-amine (CID 20934834) is N-(2-ethoxyphenyl)tetrazolo[5,1-a]phthalazin-6-amine.
What is the SMILES notation for N-(2-ethoxyphenyl)tetrazolo[5,1-a]phthalazin-6-amine?
The canonical SMILES for N-(2-ethoxyphenyl)tetrazolo[5,1-a]phthalazin-6-amine is CCOc1ccccc1Nc1nn2nnnc2c2ccccc12.
What is the InChIKey of N-(2-ethoxyphenyl)tetrazolo[5,1-a]phthalazin-6-amine?
The InChIKey is VJGDLDPDNIECKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O/c1-2-23-14-10-6-5-9-13(14)17-15-11-7-3-4-8-12(11)16-18-20-21-22(16)19-15/h3-10H,2H2,1H3,(H,17,19).
What are the key properties of N-(2-ethoxyphenyl)tetrazolo[5,1-a]phthalazin-6-amine?
N-(2-ethoxyphenyl)tetrazolo[5,1-a]phthalazin-6-amine has a molecular weight of 306.33 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)tetrazolo[5,1-a]phthalazin-6-amine is sourced from PubChem (CID 20934834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).