CID 174457230

C4H7N3 — CID 174457230

IUPAC—
SMILES[2H]N.c1cncnc1
InChIInChI=1S/C4H4N2.H3N/c1-2-5-4-6-3-1;/h1-4H;1H3/i/hD
InChIKeyZXHQXWVXSQCWRV-DYCDLGHISA-N
MW98.13 g/mol
LogP0.64
Rot. Bonds

About CID 174457230

CID 174457230 (PubChem CID 174457230) has the molecular formula C4H7N3 and a molecular weight of 98.13 g/mol.

Molecular Properties

Compound NameCID 174457230
PubChem CID174457230
Molecular FormulaC4H7N3
Molecular Weight98.13 g/mol
Exact Mass98.07
IUPAC Name—
SMILES[2H]N.c1cncnc1
InChIInChI=1S/C4H4N2.H3N/c1-2-5-4-6-3-1;/h1-4H;1H3/i/hD
InChIKeyZXHQXWVXSQCWRV-DYCDLGHISA-N
XLogP0.64
TPSA60.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.13
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

pyrimidine;bis(tungsten(2+))
CID 175709201
iron;pyrimidine
CID 160776334
copper;pyrimidine
CID 140826173
manganese;pyrimidine;sulfane
CID 174633913
pyrimidine;dihydrate;hydrochloride
CID 142797131
pyrimidine;pentahydrate;trihydrochloride
CID 139950322
methanethione;bis(pyrimidine)
CID 174411529
hypochlorous acid;pyrimidine
CID 161391603
iminonickel;pyrimidine
CID 175480865
pyrimidine;trimethylstannane
CID 157412303
fluoroform;pyrimidine
CID 163693887
pyrazine;pyridine;pyrimidine
CID 19013313

Frequently Asked Questions

What is the IUPAC name of CID 174457230?
The IUPAC name of CID 174457230 (CID 174457230) is not available.
What is the SMILES notation for CID 174457230?
The canonical SMILES for CID 174457230 is [2H]N.c1cncnc1.
What is the InChIKey of CID 174457230?
The InChIKey is ZXHQXWVXSQCWRV-DYCDLGHISA-N. The full InChI is InChI=1S/C4H4N2.H3N/c1-2-5-4-6-3-1;/h1-4H;1H3/i/hD.
What are the key properties of CID 174457230?
CID 174457230 has a molecular weight of 98.13 g/mol, XLogP of 0.64, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174457230 is sourced from PubChem (CID 174457230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).