N-(1-bicyclo[4.1.0]heptanyl)-2H-tetrazol-5-amine

C8H13N5 — CID 164660658

IUPACN-(1-bicyclo[4.1.0]heptanyl)-2H-tetrazol-5-amine
SMILESC1CCC2(Nc3nn[nH]n3)CC2C1
InChIInChI=1S/C8H13N5/c1-2-4-8(5-6(8)3-1)9-7-10-12-13-11-7/h6H,1-5H2,(H2,9,10,11,12,13)
InChIKeyXDXDNCXDGZKIAC-UHFFFAOYSA-N
MW179.23 g/mol
LogP0.94
Rot. Bonds2

About N-(1-bicyclo[4.1.0]heptanyl)-2H-tetrazol-5-amine

N-(1-bicyclo[4.1.0]heptanyl)-2H-tetrazol-5-amine (PubChem CID 164660658) has the molecular formula C8H13N5 and a molecular weight of 179.23 g/mol. Its IUPAC name is N-(1-bicyclo[4.1.0]heptanyl)-2H-tetrazol-5-amine.

Molecular Properties

Compound NameN-(1-bicyclo[4.1.0]heptanyl)-2H-tetrazol-5-amine
PubChem CID164660658
Molecular FormulaC8H13N5
Molecular Weight179.23 g/mol
Exact Mass179.12
IUPAC NameN-(1-bicyclo[4.1.0]heptanyl)-2H-tetrazol-5-amine
SMILESC1CCC2(Nc3nn[nH]n3)CC2C1
InChIInChI=1S/C8H13N5/c1-2-4-8(5-6(8)3-1)9-7-10-12-13-11-7/h6H,1-5H2,(H2,9,10,11,12,13)
InChIKeyXDXDNCXDGZKIAC-UHFFFAOYSA-N
XLogP0.94
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.23
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-bicyclo[4.1.0]heptanyl)-2H-tetrazol-5-amine?
The IUPAC name of N-(1-bicyclo[4.1.0]heptanyl)-2H-tetrazol-5-amine (CID 164660658) is N-(1-bicyclo[4.1.0]heptanyl)-2H-tetrazol-5-amine.
What is the SMILES notation for N-(1-bicyclo[4.1.0]heptanyl)-2H-tetrazol-5-amine?
The canonical SMILES for N-(1-bicyclo[4.1.0]heptanyl)-2H-tetrazol-5-amine is C1CCC2(Nc3nn[nH]n3)CC2C1.
What is the InChIKey of N-(1-bicyclo[4.1.0]heptanyl)-2H-tetrazol-5-amine?
The InChIKey is XDXDNCXDGZKIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5/c1-2-4-8(5-6(8)3-1)9-7-10-12-13-11-7/h6H,1-5H2,(H2,9,10,11,12,13).
What are the key properties of N-(1-bicyclo[4.1.0]heptanyl)-2H-tetrazol-5-amine?
N-(1-bicyclo[4.1.0]heptanyl)-2H-tetrazol-5-amine has a molecular weight of 179.23 g/mol, XLogP of 0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bicyclo[4.1.0]heptanyl)-2H-tetrazol-5-amine is sourced from PubChem (CID 164660658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).