N-[2-(2,4-dichlorophenyl)ethyl]tetrazolo[1,5-a]pyrazin-5-amine

C12H10Cl2N6 — CID 60980340

IUPACN-[2-(2,4-dichlorophenyl)ethyl]tetrazolo[1,5-a]pyrazin-5-amine
SMILESClc1ccc(CCNc2cncc3nnnn23)c(Cl)c1
InChIInChI=1S/C12H10Cl2N6/c13-9-2-1-8(10(14)5-9)3-4-16-11-6-15-7-12-17-18-19-20(11)12/h1-2,5-7,16H,3-4H2
InChIKeyVVTAJOHEMCHNPW-UHFFFAOYSA-N
MW309.16 g/mol
LogP2.48
Rot. Bonds4

About N-[2-(2,4-dichlorophenyl)ethyl]tetrazolo[1,5-a]pyrazin-5-amine

N-[2-(2,4-dichlorophenyl)ethyl]tetrazolo[1,5-a]pyrazin-5-amine (PubChem CID 60980340) has the molecular formula C12H10Cl2N6 and a molecular weight of 309.16 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)ethyl]tetrazolo[1,5-a]pyrazin-5-amine.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)ethyl]tetrazolo[1,5-a]pyrazin-5-amine
PubChem CID60980340
Molecular FormulaC12H10Cl2N6
Molecular Weight309.16 g/mol
Exact Mass308.03
IUPAC NameN-[2-(2,4-dichlorophenyl)ethyl]tetrazolo[1,5-a]pyrazin-5-amine
SMILESClc1ccc(CCNc2cncc3nnnn23)c(Cl)c1
InChIInChI=1S/C12H10Cl2N6/c13-9-2-1-8(10(14)5-9)3-4-16-11-6-15-7-12-17-18-19-20(11)12/h1-2,5-7,16H,3-4H2
InChIKeyVVTAJOHEMCHNPW-UHFFFAOYSA-N
XLogP2.48
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.16
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-chlorophenyl)methyl]tetrazolo[1,5-a]pyrazin-5-amine
CID 60981108
N-methyl-N'-(tetrazolo[1,5-a]pyrazin-5-yl)ethane-1,2-diamine
CID 62659503
6-chloro-N-[2-(2,4-dichlorophenyl)ethyl]pyrazin-2-amine
CID 47370335
5-bromo-N-[2-(2,4-dichlorophenyl)ethyl]-1,3,4-thiadiazol-2-amine
CID 64625293
3-[2-(2,4-dichlorophenyl)ethylamino]pyridine-4-carbothioamide
CID 114288128
6-chloro-2-N-[2-(2,4-dichlorophenyl)ethyl]-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80785018
2-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methyl]ethanamine
CID 17209606
5-N-[2-(2,4-dichlorophenyl)ethyl]-3-N-prop-2-enyl-1,2,4-triazine-3,5-diamine
CID 112939761
N-[2-(2,4-dichlorophenyl)ethyl]-2-methylpyrimidin-4-amine
CID 62786205
3-N-(4-chlorophenyl)-5-N-[2-(2,4-dichlorophenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112961209
3-N-tert-butyl-5-N-[2-(2,4-dichlorophenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112959021
N-[2-(2,4-dichlorophenyl)ethyl]-2-pyridin-4-ylethanamine
CID 60649518

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]tetrazolo[1,5-a]pyrazin-5-amine?
The IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]tetrazolo[1,5-a]pyrazin-5-amine (CID 60980340) is N-[2-(2,4-dichlorophenyl)ethyl]tetrazolo[1,5-a]pyrazin-5-amine.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)ethyl]tetrazolo[1,5-a]pyrazin-5-amine?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)ethyl]tetrazolo[1,5-a]pyrazin-5-amine is Clc1ccc(CCNc2cncc3nnnn23)c(Cl)c1.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)ethyl]tetrazolo[1,5-a]pyrazin-5-amine?
The InChIKey is VVTAJOHEMCHNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N6/c13-9-2-1-8(10(14)5-9)3-4-16-11-6-15-7-12-17-18-19-20(11)12/h1-2,5-7,16H,3-4H2.
What are the key properties of N-[2-(2,4-dichlorophenyl)ethyl]tetrazolo[1,5-a]pyrazin-5-amine?
N-[2-(2,4-dichlorophenyl)ethyl]tetrazolo[1,5-a]pyrazin-5-amine has a molecular weight of 309.16 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)ethyl]tetrazolo[1,5-a]pyrazin-5-amine is sourced from PubChem (CID 60980340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).