N-[1-phenyl-2-(tetrazolo[1,5-a]pyrazin-5-yl)ethyl]propan-1-amine

C15H18N6 — CID 63199440

IUPACN-[1-phenyl-2-(tetrazolo[1,5-a]pyrazin-5-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cncc2nnnn12)c1ccccc1
InChIInChI=1S/C15H18N6/c1-2-8-17-14(12-6-4-3-5-7-12)9-13-10-16-11-15-18-19-20-21(13)15/h3-7,10-11,14,17H,2,8-9H2,1H3
InChIKeySHKDFKDIRXXVFC-UHFFFAOYSA-N
MW282.35 g/mol
LogP1.80
Rot. Bonds6

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

N-[1-phenyl-2-(tetrazolo[1,5-a]pyrazin-5-yl)ethyl]propan-1-amine (PubChem CID 63199440) has the molecular formula C15H18N6 and a molecular weight of 282.35 g/mol. Its IUPAC name is N-[1-phenyl-2-(tetrazolo[1,5-a]pyrazin-5-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-phenyl-2-(tetrazolo[1,5-a]pyrazin-5-yl)ethyl]propan-1-amine
PubChem CID63199440
Molecular FormulaC15H18N6
Molecular Weight282.35 g/mol
Exact Mass282.16
IUPAC NameN-[1-phenyl-2-(tetrazolo[1,5-a]pyrazin-5-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cncc2nnnn12)c1ccccc1
InChIInChI=1S/C15H18N6/c1-2-8-17-14(12-6-4-3-5-7-12)9-13-10-16-11-15-18-19-20-21(13)15/h3-7,10-11,14,17H,2,8-9H2,1H3
InChIKeySHKDFKDIRXXVFC-UHFFFAOYSA-N
XLogP1.80
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-propyl-1-(tetrazolo[1,5-a]pyrazin-5-yl)butan-2-amine
CID 63202265
1-phenyl-2-(tetrazolo[1,5-a]pyrazin-5-yl)ethanamine
CID 63196327
N-propyl-3-(tetrazolo[1,5-a]pyrazin-5-yl)butan-2-amine
CID 63200003
N-[(1S)-1,2-diphenylethyl]propan-1-amine
CID 36689865
N-(1-phenyl-2-pyrimidin-2-ylethyl)propan-1-amine
CID 55163177
3,3-dimethyl-1-(tetrazolo[1,5-a]pyrazin-5-yl)butan-2-amine
CID 63196853
N-[2-(4-methylphenyl)-1-phenylethyl]propan-1-amine
CID 43494855
N-[2-(5-chloro-2-pyridinyl)-1-phenylethyl]propan-1-amine
CID 63199678
N-[2-(5-fluoro-2-pyridinyl)-1-phenylethyl]propan-1-amine
CID 55163375
N-[1-phenyl-2-(4-propan-2-ylphenyl)ethyl]propan-1-amine
CID 63413063
3-phenyl-2-N-(tetrazolo[1,5-a]pyrazin-5-yl)propane-1,2-diamine
CID 63759971
N-[1-[1-(1-phenylethyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103085388

Frequently Asked Questions

What is the IUPAC name of N-[1-phenyl-2-(tetrazolo[1,5-a]pyrazin-5-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-phenyl-2-(tetrazolo[1,5-a]pyrazin-5-yl)ethyl]propan-1-amine (CID 63199440) is N-[1-phenyl-2-(tetrazolo[1,5-a]pyrazin-5-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-phenyl-2-(tetrazolo[1,5-a]pyrazin-5-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-phenyl-2-(tetrazolo[1,5-a]pyrazin-5-yl)ethyl]propan-1-amine is CCCNC(Cc1cncc2nnnn12)c1ccccc1.
What is the InChIKey of N-[1-phenyl-2-(tetrazolo[1,5-a]pyrazin-5-yl)ethyl]propan-1-amine?
The InChIKey is SHKDFKDIRXXVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6/c1-2-8-17-14(12-6-4-3-5-7-12)9-13-10-16-11-15-18-19-20-21(13)15/h3-7,10-11,14,17H,2,8-9H2,1H3.
What are the key properties of N-[1-phenyl-2-(tetrazolo[1,5-a]pyrazin-5-yl)ethyl]propan-1-amine?
N-[1-phenyl-2-(tetrazolo[1,5-a]pyrazin-5-yl)ethyl]propan-1-amine has a molecular weight of 282.35 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-phenyl-2-(tetrazolo[1,5-a]pyrazin-5-yl)ethyl]propan-1-amine is sourced from PubChem (CID 63199440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).