N-propyl-1-(tetrazolo[1,5-a]pyrazin-5-yl)butan-2-amine

C11H18N6 — CID 63202265

IUPACN-propyl-1-(tetrazolo[1,5-a]pyrazin-5-yl)butan-2-amine
SMILESCCCNC(CC)Cc1cncc2nnnn12
InChIInChI=1S/C11H18N6/c1-3-5-13-9(4-2)6-10-7-12-8-11-14-15-16-17(10)11/h7-9,13H,3-6H2,1-2H3
InChIKeyJECZQHLPRSPCJN-UHFFFAOYSA-N
MW234.31 g/mol
LogP0.84
Rot. Bonds6

About N-propyl-1-(tetrazolo[1,5-a]pyrazin-5-yl)butan-2-amine

N-propyl-1-(tetrazolo[1,5-a]pyrazin-5-yl)butan-2-amine (PubChem CID 63202265) has the molecular formula C11H18N6 and a molecular weight of 234.31 g/mol. Its IUPAC name is N-propyl-1-(tetrazolo[1,5-a]pyrazin-5-yl)butan-2-amine.

Molecular Properties

Compound NameN-propyl-1-(tetrazolo[1,5-a]pyrazin-5-yl)butan-2-amine
PubChem CID63202265
Molecular FormulaC11H18N6
Molecular Weight234.31 g/mol
Exact Mass234.16
IUPAC NameN-propyl-1-(tetrazolo[1,5-a]pyrazin-5-yl)butan-2-amine
SMILESCCCNC(CC)Cc1cncc2nnnn12
InChIInChI=1S/C11H18N6/c1-3-5-13-9(4-2)6-10-7-12-8-11-14-15-16-17(10)11/h7-9,13H,3-6H2,1-2H3
InChIKeyJECZQHLPRSPCJN-UHFFFAOYSA-N
XLogP0.84
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.31
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-phenyl-2-(tetrazolo[1,5-a]pyrazin-5-yl)ethyl]propan-1-amine
CID 63199440
N-propyl-3-(tetrazolo[1,5-a]pyrazin-5-yl)butan-2-amine
CID 63200003
3,3-dimethyl-1-(tetrazolo[1,5-a]pyrazin-5-yl)butan-2-amine
CID 63196853
1-(tetrazolo[1,5-a]pyrazin-5-yl)pentan-2-one
CID 63199240
1-phenyl-2-(tetrazolo[1,5-a]pyrazin-5-yl)ethanamine
CID 63196327
N-methyl-N'-(tetrazolo[1,5-a]pyrazin-5-yl)ethane-1,2-diamine
CID 62659503
N-[2-(tetrazolo[1,5-a]pyrazin-5-yloxy)ethyl]propan-2-amine
CID 62348428
N-(4-methylsulfanylbutyl)tetrazolo[1,5-a]pyrazin-5-amine
CID 115637457
N-(5-methylsulfanylpentyl)tetrazolo[1,5-a]pyrazin-5-amine
CID 104925611
N,N'-diethyl-N'-(tetrazolo[1,5-a]pyrazin-5-yl)ethane-1,2-diamine
CID 62586413
2-[(tetrazolo[1,5-a]pyrazin-5-ylamino)methyl]butanoic acid
CID 65226474
2-[4-(tetrazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]butanethioamide
CID 63342412

Frequently Asked Questions

What is the IUPAC name of N-propyl-1-(tetrazolo[1,5-a]pyrazin-5-yl)butan-2-amine?
The IUPAC name of N-propyl-1-(tetrazolo[1,5-a]pyrazin-5-yl)butan-2-amine (CID 63202265) is N-propyl-1-(tetrazolo[1,5-a]pyrazin-5-yl)butan-2-amine.
What is the SMILES notation for N-propyl-1-(tetrazolo[1,5-a]pyrazin-5-yl)butan-2-amine?
The canonical SMILES for N-propyl-1-(tetrazolo[1,5-a]pyrazin-5-yl)butan-2-amine is CCCNC(CC)Cc1cncc2nnnn12.
What is the InChIKey of N-propyl-1-(tetrazolo[1,5-a]pyrazin-5-yl)butan-2-amine?
The InChIKey is JECZQHLPRSPCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6/c1-3-5-13-9(4-2)6-10-7-12-8-11-14-15-16-17(10)11/h7-9,13H,3-6H2,1-2H3.
What are the key properties of N-propyl-1-(tetrazolo[1,5-a]pyrazin-5-yl)butan-2-amine?
N-propyl-1-(tetrazolo[1,5-a]pyrazin-5-yl)butan-2-amine has a molecular weight of 234.31 g/mol, XLogP of 0.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-(tetrazolo[1,5-a]pyrazin-5-yl)butan-2-amine is sourced from PubChem (CID 63202265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).