3-amino-N-(2H-tetrazol-5-yl)cyclohexane-1-carboxamide

C8H14N6O — CID 119676103

IUPAC3-amino-N-(2H-tetrazol-5-yl)cyclohexane-1-carboxamide
SMILESNC1CCCC(C(=O)Nc2nn[nH]n2)C1
InChIInChI=1S/C8H14N6O/c9-6-3-1-2-5(4-6)7(15)10-8-11-13-14-12-8/h5-6H,1-4,9H2,(H2,10,11,12,13,14,15)
InChIKeyPGQDBTOXUKYUSP-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.34
Rot. Bonds2

About 3-amino-N-(2H-tetrazol-5-yl)cyclohexane-1-carboxamide

3-amino-N-(2H-tetrazol-5-yl)cyclohexane-1-carboxamide (PubChem CID 119676103) has the molecular formula C8H14N6O and a molecular weight of 210.24 g/mol. Its IUPAC name is 3-amino-N-(2H-tetrazol-5-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2H-tetrazol-5-yl)cyclohexane-1-carboxamide
PubChem CID119676103
Molecular FormulaC8H14N6O
Molecular Weight210.24 g/mol
Exact Mass210.12
IUPAC Name3-amino-N-(2H-tetrazol-5-yl)cyclohexane-1-carboxamide
SMILESNC1CCCC(C(=O)Nc2nn[nH]n2)C1
InChIInChI=1S/C8H14N6O/c9-6-3-1-2-5(4-6)7(15)10-8-11-13-14-12-8/h5-6H,1-4,9H2,(H2,10,11,12,13,14,15)
InChIKeyPGQDBTOXUKYUSP-UHFFFAOYSA-N
XLogP-0.34
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2H-tetrazol-5-yl)cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-(2H-tetrazol-5-yl)cyclohexane-1-carboxamide (CID 119676103) is 3-amino-N-(2H-tetrazol-5-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(2H-tetrazol-5-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-(2H-tetrazol-5-yl)cyclohexane-1-carboxamide is NC1CCCC(C(=O)Nc2nn[nH]n2)C1.
What is the InChIKey of 3-amino-N-(2H-tetrazol-5-yl)cyclohexane-1-carboxamide?
The InChIKey is PGQDBTOXUKYUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N6O/c9-6-3-1-2-5(4-6)7(15)10-8-11-13-14-12-8/h5-6H,1-4,9H2,(H2,10,11,12,13,14,15).
What are the key properties of 3-amino-N-(2H-tetrazol-5-yl)cyclohexane-1-carboxamide?
3-amino-N-(2H-tetrazol-5-yl)cyclohexane-1-carboxamide has a molecular weight of 210.24 g/mol, XLogP of -0.34, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2H-tetrazol-5-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 119676103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).