1-(2H-triazol-4-ylamino)cyclohexane-1-carboxylic acid

C9H14N4O2 — CID 175520419

IUPAC1-(2H-triazol-4-ylamino)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(Nc2cn[nH]n2)CCCCC1
InChIInChI=1S/C9H14N4O2/c14-8(15)9(4-2-1-3-5-9)11-7-6-10-13-12-7/h6H,1-5H2,(H,14,15)(H2,10,11,12,13)
InChIKeyJVNVILKWWVNULV-UHFFFAOYSA-N
MW210.24 g/mol
LogP1.00
Rot. Bonds3

About 1-(2H-triazol-4-ylamino)cyclohexane-1-carboxylic acid

1-(2H-triazol-4-ylamino)cyclohexane-1-carboxylic acid (PubChem CID 175520419) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 1-(2H-triazol-4-ylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2H-triazol-4-ylamino)cyclohexane-1-carboxylic acid
PubChem CID175520419
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name1-(2H-triazol-4-ylamino)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(Nc2cn[nH]n2)CCCCC1
InChIInChI=1S/C9H14N4O2/c14-8(15)9(4-2-1-3-5-9)11-7-6-10-13-12-7/h6H,1-5H2,(H,14,15)(H2,10,11,12,13)
InChIKeyJVNVILKWWVNULV-UHFFFAOYSA-N
XLogP1.00
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2H-triazol-4-ylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(2H-triazol-4-ylamino)cyclohexane-1-carboxylic acid (CID 175520419) is 1-(2H-triazol-4-ylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(2H-triazol-4-ylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(2H-triazol-4-ylamino)cyclohexane-1-carboxylic acid is O=C(O)C1(Nc2cn[nH]n2)CCCCC1.
What is the InChIKey of 1-(2H-triazol-4-ylamino)cyclohexane-1-carboxylic acid?
The InChIKey is JVNVILKWWVNULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c14-8(15)9(4-2-1-3-5-9)11-7-6-10-13-12-7/h6H,1-5H2,(H,14,15)(H2,10,11,12,13).
What are the key properties of 1-(2H-triazol-4-ylamino)cyclohexane-1-carboxylic acid?
1-(2H-triazol-4-ylamino)cyclohexane-1-carboxylic acid has a molecular weight of 210.24 g/mol, XLogP of 1.00, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2H-triazol-4-ylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 175520419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).