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

C12H11ClN6 — CID 60979967

IUPACN-[1-(2-chlorophenyl)ethyl]tetrazolo[1,5-a]pyrazin-5-amine
SMILESCC(Nc1cncc2nnnn12)c1ccccc1Cl
InChIInChI=1S/C12H11ClN6/c1-8(9-4-2-3-5-10(9)13)15-11-6-14-7-12-16-17-18-19(11)12/h2-8,15H,1H3
InChIKeyPIQJXOHVUJILJP-UHFFFAOYSA-N
MW274.72 g/mol
LogP2.35
Rot. Bonds3

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

N-[1-(2-chlorophenyl)ethyl]tetrazolo[1,5-a]pyrazin-5-amine (PubChem CID 60979967) has the molecular formula C12H11ClN6 and a molecular weight of 274.72 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)ethyl]tetrazolo[1,5-a]pyrazin-5-amine.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)ethyl]tetrazolo[1,5-a]pyrazin-5-amine
PubChem CID60979967
Molecular FormulaC12H11ClN6
Molecular Weight274.72 g/mol
Exact Mass274.07
IUPAC NameN-[1-(2-chlorophenyl)ethyl]tetrazolo[1,5-a]pyrazin-5-amine
SMILESCC(Nc1cncc2nnnn12)c1ccccc1Cl
InChIInChI=1S/C12H11ClN6/c1-8(9-4-2-3-5-10(9)13)15-11-6-14-7-12-16-17-18-19(11)12/h2-8,15H,1H3
InChIKeyPIQJXOHVUJILJP-UHFFFAOYSA-N
XLogP2.35
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.72
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R)-1-(2-chlorophenyl)ethyl]pyridin-4-amine
CID 141011393
2-N-[1-(2-chlorophenyl)ethyl]-6-N-methylpyrazine-2,6-diamine
CID 80802030
3-chloro-N-[1-(2-chlorophenyl)ethyl]pyridin-4-amine
CID 79769972
5-bromo-4-N-[1-(2-chlorophenyl)ethyl]pyridine-3,4-diamine
CID 103517880
6-bromo-N-[1-(2-chlorophenyl)ethyl]pyridin-3-amine
CID 113228015
6-chloro-N-[1-(2-chlorophenyl)ethyl]-2-methylpyrimidin-4-amine
CID 55080193
6-[1-(2-chlorophenyl)ethylamino]pyridine-3-carboxamide
CID 112722842
N-[1-(2-chlorophenyl)ethyl]-2-(tetrazol-1-yl)aniline
CID 43702199
(1S)-1-(2-chlorophenyl)-N-methylethanamine
CID 30073865
4-chloro-N-[1-(2-chlorophenyl)ethyl]phthalazin-1-amine
CID 62142132
N-[1-(2-chlorophenyl)ethyl]-1,2,4-benzotriazin-3-amine
CID 103204195
(1R)-N-[1-(2-chlorophenyl)ethyl]-1-pyridin-3-ylethanamine
CID 79691249

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)ethyl]tetrazolo[1,5-a]pyrazin-5-amine?
The IUPAC name of N-[1-(2-chlorophenyl)ethyl]tetrazolo[1,5-a]pyrazin-5-amine (CID 60979967) is N-[1-(2-chlorophenyl)ethyl]tetrazolo[1,5-a]pyrazin-5-amine.
What is the SMILES notation for N-[1-(2-chlorophenyl)ethyl]tetrazolo[1,5-a]pyrazin-5-amine?
The canonical SMILES for N-[1-(2-chlorophenyl)ethyl]tetrazolo[1,5-a]pyrazin-5-amine is CC(Nc1cncc2nnnn12)c1ccccc1Cl.
What is the InChIKey of N-[1-(2-chlorophenyl)ethyl]tetrazolo[1,5-a]pyrazin-5-amine?
The InChIKey is PIQJXOHVUJILJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN6/c1-8(9-4-2-3-5-10(9)13)15-11-6-14-7-12-16-17-18-19(11)12/h2-8,15H,1H3.
What are the key properties of N-[1-(2-chlorophenyl)ethyl]tetrazolo[1,5-a]pyrazin-5-amine?
N-[1-(2-chlorophenyl)ethyl]tetrazolo[1,5-a]pyrazin-5-amine has a molecular weight of 274.72 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)ethyl]tetrazolo[1,5-a]pyrazin-5-amine is sourced from PubChem (CID 60979967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).