[4-(2H-tetrazol-5-yl)cyclohexyl]carbamic acid

C8H13N5O2 — CID 146423238

IUPAC[4-(2H-tetrazol-5-yl)cyclohexyl]carbamic acid
SMILESO=C(O)NC1CCC(c2nn[nH]n2)CC1
InChIInChI=1S/C8H13N5O2/c14-8(15)9-6-3-1-5(2-4-6)7-10-12-13-11-7/h5-6,9H,1-4H2,(H,14,15)(H,10,11,12,13)
InChIKeyGULPTJPOICTLAT-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.49
Rot. Bonds2

About [4-(2H-tetrazol-5-yl)cyclohexyl]carbamic acid

[4-(2H-tetrazol-5-yl)cyclohexyl]carbamic acid (PubChem CID 146423238) has the molecular formula C8H13N5O2 and a molecular weight of 211.22 g/mol. Its IUPAC name is [4-(2H-tetrazol-5-yl)cyclohexyl]carbamic acid.

Molecular Properties

Compound Name[4-(2H-tetrazol-5-yl)cyclohexyl]carbamic acid
PubChem CID146423238
Molecular FormulaC8H13N5O2
Molecular Weight211.22 g/mol
Exact Mass211.11
IUPAC Name[4-(2H-tetrazol-5-yl)cyclohexyl]carbamic acid
SMILESO=C(O)NC1CCC(c2nn[nH]n2)CC1
InChIInChI=1S/C8H13N5O2/c14-8(15)9-6-3-1-5(2-4-6)7-10-12-13-11-7/h5-6,9H,1-4H2,(H,14,15)(H,10,11,12,13)
InChIKeyGULPTJPOICTLAT-UHFFFAOYSA-N
XLogP0.49
TPSA103.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(2H-tetrazol-5-yl)cyclohexyl]carbamic acid?
The IUPAC name of [4-(2H-tetrazol-5-yl)cyclohexyl]carbamic acid (CID 146423238) is [4-(2H-tetrazol-5-yl)cyclohexyl]carbamic acid.
What is the SMILES notation for [4-(2H-tetrazol-5-yl)cyclohexyl]carbamic acid?
The canonical SMILES for [4-(2H-tetrazol-5-yl)cyclohexyl]carbamic acid is O=C(O)NC1CCC(c2nn[nH]n2)CC1.
What is the InChIKey of [4-(2H-tetrazol-5-yl)cyclohexyl]carbamic acid?
The InChIKey is GULPTJPOICTLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O2/c14-8(15)9-6-3-1-5(2-4-6)7-10-12-13-11-7/h5-6,9H,1-4H2,(H,14,15)(H,10,11,12,13).
What are the key properties of [4-(2H-tetrazol-5-yl)cyclohexyl]carbamic acid?
[4-(2H-tetrazol-5-yl)cyclohexyl]carbamic acid has a molecular weight of 211.22 g/mol, XLogP of 0.49, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2H-tetrazol-5-yl)cyclohexyl]carbamic acid is sourced from PubChem (CID 146423238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).