ethane;molecular hydrogen;pyridine-3,4-diamine

C7H15N3 — CID 143900144

IUPACethane;molecular hydrogen;pyridine-3,4-diamine
SMILESCC.Nc1ccncc1N.[H][H]
InChIInChI=1S/C5H7N3.C2H6.H2/c6-4-1-2-8-3-5(4)7;1-2;/h1-3H,7H2,(H2,6,8);1-2H3;1H
InChIKeyBHYDJEXMAVFWAB-UHFFFAOYSA-N
MW141.22 g/mol
LogP1.52
Rot. Bonds

About ethane;molecular hydrogen;pyridine-3,4-diamine

ethane;molecular hydrogen;pyridine-3,4-diamine (PubChem CID 143900144) has the molecular formula C7H15N3 and a molecular weight of 141.22 g/mol. Its IUPAC name is ethane;molecular hydrogen;pyridine-3,4-diamine.

Molecular Properties

Compound Nameethane;molecular hydrogen;pyridine-3,4-diamine
PubChem CID143900144
Molecular FormulaC7H15N3
Molecular Weight141.22 g/mol
Exact Mass141.13
IUPAC Nameethane;molecular hydrogen;pyridine-3,4-diamine
SMILESCC.Nc1ccncc1N.[H][H]
InChIInChI=1S/C5H7N3.C2H6.H2/c6-4-1-2-8-3-5(4)7;1-2;/h1-3H,7H2,(H2,6,8);1-2H3;1H
InChIKeyBHYDJEXMAVFWAB-UHFFFAOYSA-N
XLogP1.52
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.22
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;molecular hydrogen;pyridine-3,4-diamine?
The IUPAC name of ethane;molecular hydrogen;pyridine-3,4-diamine (CID 143900144) is ethane;molecular hydrogen;pyridine-3,4-diamine.
What is the SMILES notation for ethane;molecular hydrogen;pyridine-3,4-diamine?
The canonical SMILES for ethane;molecular hydrogen;pyridine-3,4-diamine is CC.Nc1ccncc1N.[H][H].
What is the InChIKey of ethane;molecular hydrogen;pyridine-3,4-diamine?
The InChIKey is BHYDJEXMAVFWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3.C2H6.H2/c6-4-1-2-8-3-5(4)7;1-2;/h1-3H,7H2,(H2,6,8);1-2H3;1H.
What are the key properties of ethane;molecular hydrogen;pyridine-3,4-diamine?
ethane;molecular hydrogen;pyridine-3,4-diamine has a molecular weight of 141.22 g/mol, XLogP of 1.52, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;molecular hydrogen;pyridine-3,4-diamine is sourced from PubChem (CID 143900144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).