1-prop-2-ynyl-1-pyrimidin-2-ylhydrazine;hydrochloride

C7H9ClN4 — CID 135341648

IUPAC1-prop-2-ynyl-1-pyrimidin-2-ylhydrazine;hydrochloride
SMILESC#CCN(N)c1ncccn1.Cl
InChIInChI=1S/C7H8N4.ClH/c1-2-6-11(8)7-9-4-3-5-10-7;/h1,3-5H,6,8H2;1H
InChIKeyZRKTXDFVIYJRNU-UHFFFAOYSA-N
MW184.63 g/mol
LogP0.21
Rot. Bonds2

About 1-prop-2-ynyl-1-pyrimidin-2-ylhydrazine;hydrochloride

1-prop-2-ynyl-1-pyrimidin-2-ylhydrazine;hydrochloride (PubChem CID 135341648) has the molecular formula C7H9ClN4 and a molecular weight of 184.63 g/mol. Its IUPAC name is 1-prop-2-ynyl-1-pyrimidin-2-ylhydrazine;hydrochloride.

Molecular Properties

Compound Name1-prop-2-ynyl-1-pyrimidin-2-ylhydrazine;hydrochloride
PubChem CID135341648
Molecular FormulaC7H9ClN4
Molecular Weight184.63 g/mol
Exact Mass184.05
IUPAC Name1-prop-2-ynyl-1-pyrimidin-2-ylhydrazine;hydrochloride
SMILESC#CCN(N)c1ncccn1.Cl
InChIInChI=1S/C7H8N4.ClH/c1-2-6-11(8)7-9-4-3-5-10-7;/h1,3-5H,6,8H2;1H
InChIKeyZRKTXDFVIYJRNU-UHFFFAOYSA-N
XLogP0.21
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.63
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-prop-2-ynyl-1-pyrimidin-2-ylhydrazine;hydrochloride?
The IUPAC name of 1-prop-2-ynyl-1-pyrimidin-2-ylhydrazine;hydrochloride (CID 135341648) is 1-prop-2-ynyl-1-pyrimidin-2-ylhydrazine;hydrochloride.
What is the SMILES notation for 1-prop-2-ynyl-1-pyrimidin-2-ylhydrazine;hydrochloride?
The canonical SMILES for 1-prop-2-ynyl-1-pyrimidin-2-ylhydrazine;hydrochloride is C#CCN(N)c1ncccn1.Cl.
What is the InChIKey of 1-prop-2-ynyl-1-pyrimidin-2-ylhydrazine;hydrochloride?
The InChIKey is ZRKTXDFVIYJRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4.ClH/c1-2-6-11(8)7-9-4-3-5-10-7;/h1,3-5H,6,8H2;1H.
What are the key properties of 1-prop-2-ynyl-1-pyrimidin-2-ylhydrazine;hydrochloride?
1-prop-2-ynyl-1-pyrimidin-2-ylhydrazine;hydrochloride has a molecular weight of 184.63 g/mol, XLogP of 0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-ynyl-1-pyrimidin-2-ylhydrazine;hydrochloride is sourced from PubChem (CID 135341648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).