N-[[1-(tetrazolo[1,5-a]pyrazin-5-yl)piperidin-3-yl]methyl]ethanamine

C12H19N7 — CID 62592707

IUPACN-[[1-(tetrazolo[1,5-a]pyrazin-5-yl)piperidin-3-yl]methyl]ethanamine
SMILESCCNCC1CCCN(c2cncc3nnnn23)C1
InChIInChI=1S/C12H19N7/c1-2-13-6-10-4-3-5-18(9-10)12-8-14-7-11-15-16-17-19(11)12/h7-8,10,13H,2-6,9H2,1H3
InChIKeyOHNDHZGWDLQYOF-UHFFFAOYSA-N
MW261.33 g/mol
LogP0.35
Rot. Bonds4

About N-[[1-(tetrazolo[1,5-a]pyrazin-5-yl)piperidin-3-yl]methyl]ethanamine

N-[[1-(tetrazolo[1,5-a]pyrazin-5-yl)piperidin-3-yl]methyl]ethanamine (PubChem CID 62592707) has the molecular formula C12H19N7 and a molecular weight of 261.33 g/mol. Its IUPAC name is N-[[1-(tetrazolo[1,5-a]pyrazin-5-yl)piperidin-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(tetrazolo[1,5-a]pyrazin-5-yl)piperidin-3-yl]methyl]ethanamine
PubChem CID62592707
Molecular FormulaC12H19N7
Molecular Weight261.33 g/mol
Exact Mass261.17
IUPAC NameN-[[1-(tetrazolo[1,5-a]pyrazin-5-yl)piperidin-3-yl]methyl]ethanamine
SMILESCCNCC1CCCN(c2cncc3nnnn23)C1
InChIInChI=1S/C12H19N7/c1-2-13-6-10-4-3-5-18(9-10)12-8-14-7-11-15-16-17-19(11)12/h7-8,10,13H,2-6,9H2,1H3
InChIKeyOHNDHZGWDLQYOF-UHFFFAOYSA-N
XLogP0.35
TPSA71.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[1-(tetrazolo[1,5-a]pyrazin-5-yl)piperidin-3-yl]methyl]ethanamine with MolForge

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Related Compounds

2-[1-(tetrazolo[1,5-a]pyrazin-5-yl)piperidin-3-yl]acetic acid
CID 62690088
5-[3-(chloromethyl)pyrrolidin-1-yl]tetrazolo[1,5-a]pyrazine
CID 63390485
N-[[1-(1-methyltetrazol-5-yl)piperidin-3-yl]methyl]ethanamine
CID 63149812
N-[(1-pyridin-4-ylpiperidin-3-yl)methyl]ethanamine
CID 62592344
N-[[1-(5-methylpyridazin-3-yl)piperidin-3-yl]methyl]ethanamine
CID 106550545
5-[4-(1-chloroethyl)piperidin-1-yl]tetrazolo[1,5-a]pyrazine
CID 106838475
N-methyl-1-[1-(tetrazolo[1,5-a]pyrazin-5-yl)piperidin-2-yl]methanamine
CID 62588010
N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methyl]ethanamine
CID 65272861
5-piperazin-1-yltetrazolo[1,5-a]pyrazine;dihydrochloride
CID 146049763
5-(3-piperazin-1-ylazetidin-1-yl)tetrazolo[1,5-a]pyrazine
CID 66196007
N-[[1-(4-methyl-2-pyridinyl)piperidin-3-yl]methyl]ethanamine
CID 62592708
5-bromo-4-[3-(ethylaminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136989739

Frequently Asked Questions

What is the IUPAC name of N-[[1-(tetrazolo[1,5-a]pyrazin-5-yl)piperidin-3-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(tetrazolo[1,5-a]pyrazin-5-yl)piperidin-3-yl]methyl]ethanamine (CID 62592707) is N-[[1-(tetrazolo[1,5-a]pyrazin-5-yl)piperidin-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(tetrazolo[1,5-a]pyrazin-5-yl)piperidin-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(tetrazolo[1,5-a]pyrazin-5-yl)piperidin-3-yl]methyl]ethanamine is CCNCC1CCCN(c2cncc3nnnn23)C1.
What is the InChIKey of N-[[1-(tetrazolo[1,5-a]pyrazin-5-yl)piperidin-3-yl]methyl]ethanamine?
The InChIKey is OHNDHZGWDLQYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N7/c1-2-13-6-10-4-3-5-18(9-10)12-8-14-7-11-15-16-17-19(11)12/h7-8,10,13H,2-6,9H2,1H3.
What are the key properties of N-[[1-(tetrazolo[1,5-a]pyrazin-5-yl)piperidin-3-yl]methyl]ethanamine?
N-[[1-(tetrazolo[1,5-a]pyrazin-5-yl)piperidin-3-yl]methyl]ethanamine has a molecular weight of 261.33 g/mol, XLogP of 0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(tetrazolo[1,5-a]pyrazin-5-yl)piperidin-3-yl]methyl]ethanamine is sourced from PubChem (CID 62592707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).