molecular hydrogen;N,N,5-trimethyl-1H-1,2,4-triazol-3-amine

C5H12N4 — CID 167448525

IUPACmolecular hydrogen;N,N,5-trimethyl-1H-1,2,4-triazol-3-amine
SMILESCc1nc(N(C)C)n[nH]1.[H][H]
InChIInChI=1S/C5H10N4.H2/c1-4-6-5(8-7-4)9(2)3;/h1-3H3,(H,6,7,8);1H
InChIKeyYZTHYJVVKWGSPZ-UHFFFAOYSA-N
MW128.18 g/mol
LogP0.43
Rot. Bonds1

About molecular hydrogen;N,N,5-trimethyl-1H-1,2,4-triazol-3-amine

molecular hydrogen;N,N,5-trimethyl-1H-1,2,4-triazol-3-amine (PubChem CID 167448525) has the molecular formula C5H12N4 and a molecular weight of 128.18 g/mol. Its IUPAC name is molecular hydrogen;N,N,5-trimethyl-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Namemolecular hydrogen;N,N,5-trimethyl-1H-1,2,4-triazol-3-amine
PubChem CID167448525
Molecular FormulaC5H12N4
Molecular Weight128.18 g/mol
Exact Mass128.11
IUPAC Namemolecular hydrogen;N,N,5-trimethyl-1H-1,2,4-triazol-3-amine
SMILESCc1nc(N(C)C)n[nH]1.[H][H]
InChIInChI=1S/C5H10N4.H2/c1-4-6-5(8-7-4)9(2)3;/h1-3H3,(H,6,7,8);1H
InChIKeyYZTHYJVVKWGSPZ-UHFFFAOYSA-N
XLogP0.43
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.18
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;N,N,5-trimethyl-1H-1,2,4-triazol-3-amine?
The IUPAC name of molecular hydrogen;N,N,5-trimethyl-1H-1,2,4-triazol-3-amine (CID 167448525) is molecular hydrogen;N,N,5-trimethyl-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for molecular hydrogen;N,N,5-trimethyl-1H-1,2,4-triazol-3-amine?
The canonical SMILES for molecular hydrogen;N,N,5-trimethyl-1H-1,2,4-triazol-3-amine is Cc1nc(N(C)C)n[nH]1.[H][H].
What is the InChIKey of molecular hydrogen;N,N,5-trimethyl-1H-1,2,4-triazol-3-amine?
The InChIKey is YZTHYJVVKWGSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4.H2/c1-4-6-5(8-7-4)9(2)3;/h1-3H3,(H,6,7,8);1H.
What are the key properties of molecular hydrogen;N,N,5-trimethyl-1H-1,2,4-triazol-3-amine?
molecular hydrogen;N,N,5-trimethyl-1H-1,2,4-triazol-3-amine has a molecular weight of 128.18 g/mol, XLogP of 0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;N,N,5-trimethyl-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 167448525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).