(5-amino-2H-triazol-4-yl) hydrogen carbonate

C3H4N4O3 — CID 67360128

IUPAC(5-amino-2H-triazol-4-yl) hydrogen carbonate
SMILESNc1n[nH]nc1OC(=O)O
InChIInChI=1S/C3H4N4O3/c4-1-2(6-7-5-1)10-3(8)9/h(H,8,9)(H3,4,5,6,7)
InChIKeyMHKMBHORYAFICT-UHFFFAOYSA-N
MW144.09 g/mol
LogP-0.56
Rot. Bonds1

About (5-amino-2H-triazol-4-yl) hydrogen carbonate

(5-amino-2H-triazol-4-yl) hydrogen carbonate (PubChem CID 67360128) has the molecular formula C3H4N4O3 and a molecular weight of 144.09 g/mol. Its IUPAC name is (5-amino-2H-triazol-4-yl) hydrogen carbonate.

Molecular Properties

Compound Name(5-amino-2H-triazol-4-yl) hydrogen carbonate
PubChem CID67360128
Molecular FormulaC3H4N4O3
Molecular Weight144.09 g/mol
Exact Mass144.03
IUPAC Name(5-amino-2H-triazol-4-yl) hydrogen carbonate
SMILESNc1n[nH]nc1OC(=O)O
InChIInChI=1S/C3H4N4O3/c4-1-2(6-7-5-1)10-3(8)9/h(H,8,9)(H3,4,5,6,7)
InChIKeyMHKMBHORYAFICT-UHFFFAOYSA-N
XLogP-0.56
TPSA114.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.09
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-amino-2H-triazol-4-yl) hydrogen carbonate?
The IUPAC name of (5-amino-2H-triazol-4-yl) hydrogen carbonate (CID 67360128) is (5-amino-2H-triazol-4-yl) hydrogen carbonate.
What is the SMILES notation for (5-amino-2H-triazol-4-yl) hydrogen carbonate?
The canonical SMILES for (5-amino-2H-triazol-4-yl) hydrogen carbonate is Nc1n[nH]nc1OC(=O)O.
What is the InChIKey of (5-amino-2H-triazol-4-yl) hydrogen carbonate?
The InChIKey is MHKMBHORYAFICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N4O3/c4-1-2(6-7-5-1)10-3(8)9/h(H,8,9)(H3,4,5,6,7).
What are the key properties of (5-amino-2H-triazol-4-yl) hydrogen carbonate?
(5-amino-2H-triazol-4-yl) hydrogen carbonate has a molecular weight of 144.09 g/mol, XLogP of -0.56, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2H-triazol-4-yl) hydrogen carbonate is sourced from PubChem (CID 67360128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).