molecular hydrogen;N-propan-2-yl-1H-1,2,4-triazol-5-amine

C5H12N4 — CID 159461935

IUPACmolecular hydrogen;N-propan-2-yl-1H-1,2,4-triazol-5-amine
SMILESCC(C)Nc1ncn[nH]1.[H][H]
InChIInChI=1S/C5H10N4.H2/c1-4(2)8-5-6-3-7-9-5;/h3-4H,1-2H3,(H2,6,7,8,9);1H
InChIKeyLURSXKYNKCEKFQ-UHFFFAOYSA-N
MW128.18 g/mol
LogP0.87
Rot. Bonds2

About molecular hydrogen;N-propan-2-yl-1H-1,2,4-triazol-5-amine

molecular hydrogen;N-propan-2-yl-1H-1,2,4-triazol-5-amine (PubChem CID 159461935) has the molecular formula C5H12N4 and a molecular weight of 128.18 g/mol. Its IUPAC name is molecular hydrogen;N-propan-2-yl-1H-1,2,4-triazol-5-amine.

Molecular Properties

Compound Namemolecular hydrogen;N-propan-2-yl-1H-1,2,4-triazol-5-amine
PubChem CID159461935
Molecular FormulaC5H12N4
Molecular Weight128.18 g/mol
Exact Mass128.11
IUPAC Namemolecular hydrogen;N-propan-2-yl-1H-1,2,4-triazol-5-amine
SMILESCC(C)Nc1ncn[nH]1.[H][H]
InChIInChI=1S/C5H10N4.H2/c1-4(2)8-5-6-3-7-9-5;/h3-4H,1-2H3,(H2,6,7,8,9);1H
InChIKeyLURSXKYNKCEKFQ-UHFFFAOYSA-N
XLogP0.87
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.18
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;N-propan-2-yl-1H-1,2,4-triazol-5-amine?
The IUPAC name of molecular hydrogen;N-propan-2-yl-1H-1,2,4-triazol-5-amine (CID 159461935) is molecular hydrogen;N-propan-2-yl-1H-1,2,4-triazol-5-amine.
What is the SMILES notation for molecular hydrogen;N-propan-2-yl-1H-1,2,4-triazol-5-amine?
The canonical SMILES for molecular hydrogen;N-propan-2-yl-1H-1,2,4-triazol-5-amine is CC(C)Nc1ncn[nH]1.[H][H].
What is the InChIKey of molecular hydrogen;N-propan-2-yl-1H-1,2,4-triazol-5-amine?
The InChIKey is LURSXKYNKCEKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4.H2/c1-4(2)8-5-6-3-7-9-5;/h3-4H,1-2H3,(H2,6,7,8,9);1H.
What are the key properties of molecular hydrogen;N-propan-2-yl-1H-1,2,4-triazol-5-amine?
molecular hydrogen;N-propan-2-yl-1H-1,2,4-triazol-5-amine has a molecular weight of 128.18 g/mol, XLogP of 0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;N-propan-2-yl-1H-1,2,4-triazol-5-amine is sourced from PubChem (CID 159461935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).