4-N-[6-[3-[2-(2H-tetrazol-5-yl)ethenyl]phenyl]pyrazin-2-yl]cyclohexane-1,4-diamine

C19H22N8 — CID 67317558

IUPAC4-N-[6-[3-[2-(2H-tetrazol-5-yl)ethenyl]phenyl]pyrazin-2-yl]cyclohexane-1,4-diamine
SMILESNC1CCC(Nc2cncc(-c3cccc(C=Cc4nn[nH]n4)c3)n2)CC1
InChIInChI=1S/C19H22N8/c20-15-5-7-16(8-6-15)22-19-12-21-11-17(23-19)14-3-1-2-13(10-14)4-9-18-24-26-27-25-18/h1-4,9-12,15-16H,5-8,20H2,(H,22,23)(H,24,25,26,27)
InChIKeyNCOGPXFERHBDDZ-UHFFFAOYSA-N
MW362.44 g/mol
LogP2.51
Rot. Bonds5

About 4-N-[6-[3-[2-(2H-tetrazol-5-yl)ethenyl]phenyl]pyrazin-2-yl]cyclohexane-1,4-diamine

4-N-[6-[3-[2-(2H-tetrazol-5-yl)ethenyl]phenyl]pyrazin-2-yl]cyclohexane-1,4-diamine (PubChem CID 67317558) has the molecular formula C19H22N8 and a molecular weight of 362.44 g/mol. Its IUPAC name is 4-N-[6-[3-[2-(2H-tetrazol-5-yl)ethenyl]phenyl]pyrazin-2-yl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[6-[3-[2-(2H-tetrazol-5-yl)ethenyl]phenyl]pyrazin-2-yl]cyclohexane-1,4-diamine
PubChem CID67317558
Molecular FormulaC19H22N8
Molecular Weight362.44 g/mol
Exact Mass362.20
IUPAC Name4-N-[6-[3-[2-(2H-tetrazol-5-yl)ethenyl]phenyl]pyrazin-2-yl]cyclohexane-1,4-diamine
SMILESNC1CCC(Nc2cncc(-c3cccc(C=Cc4nn[nH]n4)c3)n2)CC1
InChIInChI=1S/C19H22N8/c20-15-5-7-16(8-6-15)22-19-12-21-11-17(23-19)14-3-1-2-13(10-14)4-9-18-24-26-27-25-18/h1-4,9-12,15-16H,5-8,20H2,(H,22,23)(H,24,25,26,27)
InChIKeyNCOGPXFERHBDDZ-UHFFFAOYSA-N
XLogP2.51
TPSA118.29 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N-[6-[3-[2-(2H-tetrazol-5-yl)ethenyl]phenyl]pyrazin-2-yl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-[6-[3-[2-(2H-tetrazol-5-yl)ethenyl]phenyl]pyrazin-2-yl]cyclohexane-1,4-diamine (CID 67317558) is 4-N-[6-[3-[2-(2H-tetrazol-5-yl)ethenyl]phenyl]pyrazin-2-yl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[6-[3-[2-(2H-tetrazol-5-yl)ethenyl]phenyl]pyrazin-2-yl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[6-[3-[2-(2H-tetrazol-5-yl)ethenyl]phenyl]pyrazin-2-yl]cyclohexane-1,4-diamine is NC1CCC(Nc2cncc(-c3cccc(C=Cc4nn[nH]n4)c3)n2)CC1.
What is the InChIKey of 4-N-[6-[3-[2-(2H-tetrazol-5-yl)ethenyl]phenyl]pyrazin-2-yl]cyclohexane-1,4-diamine?
The InChIKey is NCOGPXFERHBDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N8/c20-15-5-7-16(8-6-15)22-19-12-21-11-17(23-19)14-3-1-2-13(10-14)4-9-18-24-26-27-25-18/h1-4,9-12,15-16H,5-8,20H2,(H,22,23)(H,24,25,26,27).
What are the key properties of 4-N-[6-[3-[2-(2H-tetrazol-5-yl)ethenyl]phenyl]pyrazin-2-yl]cyclohexane-1,4-diamine?
4-N-[6-[3-[2-(2H-tetrazol-5-yl)ethenyl]phenyl]pyrazin-2-yl]cyclohexane-1,4-diamine has a molecular weight of 362.44 g/mol, XLogP of 2.51, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[6-[3-[2-(2H-tetrazol-5-yl)ethenyl]phenyl]pyrazin-2-yl]cyclohexane-1,4-diamine is sourced from PubChem (CID 67317558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).