N-[[1-(aminomethyl)cyclohexyl]methyl]tetrazolo[1,5-a]pyrazin-5-amine

C12H19N7 — CID 103970438

IUPACN-[[1-(aminomethyl)cyclohexyl]methyl]tetrazolo[1,5-a]pyrazin-5-amine
SMILESNCC1(CNc2cncc3nnnn23)CCCCC1
InChIInChI=1S/C12H19N7/c13-8-12(4-2-1-3-5-12)9-15-10-6-14-7-11-16-17-18-19(10)11/h6-7,15H,1-5,8-9,13H2
InChIKeyZMCOCSJVOBJEFW-UHFFFAOYSA-N
MW261.33 g/mol
LogP0.84
Rot. Bonds4

About N-[[1-(aminomethyl)cyclohexyl]methyl]tetrazolo[1,5-a]pyrazin-5-amine

N-[[1-(aminomethyl)cyclohexyl]methyl]tetrazolo[1,5-a]pyrazin-5-amine (PubChem CID 103970438) has the molecular formula C12H19N7 and a molecular weight of 261.33 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclohexyl]methyl]tetrazolo[1,5-a]pyrazin-5-amine.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclohexyl]methyl]tetrazolo[1,5-a]pyrazin-5-amine
PubChem CID103970438
Molecular FormulaC12H19N7
Molecular Weight261.33 g/mol
Exact Mass261.17
IUPAC NameN-[[1-(aminomethyl)cyclohexyl]methyl]tetrazolo[1,5-a]pyrazin-5-amine
SMILESNCC1(CNc2cncc3nnnn23)CCCCC1
InChIInChI=1S/C12H19N7/c13-8-12(4-2-1-3-5-12)9-15-10-6-14-7-11-16-17-18-19(10)11/h6-7,15H,1-5,8-9,13H2
InChIKeyZMCOCSJVOBJEFW-UHFFFAOYSA-N
XLogP0.84
TPSA94.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclohexyl]methyl]tetrazolo[1,5-a]pyrazin-5-amine?
The IUPAC name of N-[[1-(aminomethyl)cyclohexyl]methyl]tetrazolo[1,5-a]pyrazin-5-amine (CID 103970438) is N-[[1-(aminomethyl)cyclohexyl]methyl]tetrazolo[1,5-a]pyrazin-5-amine.
What is the SMILES notation for N-[[1-(aminomethyl)cyclohexyl]methyl]tetrazolo[1,5-a]pyrazin-5-amine?
The canonical SMILES for N-[[1-(aminomethyl)cyclohexyl]methyl]tetrazolo[1,5-a]pyrazin-5-amine is NCC1(CNc2cncc3nnnn23)CCCCC1.
What is the InChIKey of N-[[1-(aminomethyl)cyclohexyl]methyl]tetrazolo[1,5-a]pyrazin-5-amine?
The InChIKey is ZMCOCSJVOBJEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N7/c13-8-12(4-2-1-3-5-12)9-15-10-6-14-7-11-16-17-18-19(10)11/h6-7,15H,1-5,8-9,13H2.
What are the key properties of N-[[1-(aminomethyl)cyclohexyl]methyl]tetrazolo[1,5-a]pyrazin-5-amine?
N-[[1-(aminomethyl)cyclohexyl]methyl]tetrazolo[1,5-a]pyrazin-5-amine has a molecular weight of 261.33 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclohexyl]methyl]tetrazolo[1,5-a]pyrazin-5-amine is sourced from PubChem (CID 103970438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).