[5-chloro-4-(3,5-diethyl-1,2,4-triazol-1-yl)pyrimidin-2-yl]hydrazine

C10H14ClN7 — CID 80904057

IUPAC[5-chloro-4-(3,5-diethyl-1,2,4-triazol-1-yl)pyrimidin-2-yl]hydrazine
SMILESCCc1nc(CC)n(-c2nc(NN)ncc2Cl)n1
InChIInChI=1S/C10H14ClN7/c1-3-7-14-8(4-2)18(17-7)9-6(11)5-13-10(15-9)16-12/h5H,3-4,12H2,1-2H3,(H,13,15,16)
InChIKeyNRDPADDAUTYUPY-UHFFFAOYSA-N
MW267.72 g/mol
LogP1.12
Rot. Bonds4

About [5-chloro-4-(3,5-diethyl-1,2,4-triazol-1-yl)pyrimidin-2-yl]hydrazine

[5-chloro-4-(3,5-diethyl-1,2,4-triazol-1-yl)pyrimidin-2-yl]hydrazine (PubChem CID 80904057) has the molecular formula C10H14ClN7 and a molecular weight of 267.72 g/mol. Its IUPAC name is [5-chloro-4-(3,5-diethyl-1,2,4-triazol-1-yl)pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[5-chloro-4-(3,5-diethyl-1,2,4-triazol-1-yl)pyrimidin-2-yl]hydrazine
PubChem CID80904057
Molecular FormulaC10H14ClN7
Molecular Weight267.72 g/mol
Exact Mass267.10
IUPAC Name[5-chloro-4-(3,5-diethyl-1,2,4-triazol-1-yl)pyrimidin-2-yl]hydrazine
SMILESCCc1nc(CC)n(-c2nc(NN)ncc2Cl)n1
InChIInChI=1S/C10H14ClN7/c1-3-7-14-8(4-2)18(17-7)9-6(11)5-13-10(15-9)16-12/h5H,3-4,12H2,1-2H3,(H,13,15,16)
InChIKeyNRDPADDAUTYUPY-UHFFFAOYSA-N
XLogP1.12
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [5-chloro-4-(3,5-diethyl-1,2,4-triazol-1-yl)pyrimidin-2-yl]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-4-(3,5-diethyl-1,2,4-triazol-1-yl)-N-methylpyrimidin-2-amine
CID 80867774
5-bromo-4-(3,5-diethyl-1,2,4-triazol-1-yl)-N-ethylpyrimidin-2-amine
CID 80868691
5-chloro-2-(3,5-diethyl-1,2,4-triazol-1-yl)-3-fluoropyridine
CID 79728001
[6-(3,5-diethyl-1,2,4-triazol-1-yl)pyrimidin-4-yl]hydrazine
CID 80902698
5-bromo-4-(3,5-diethyl-1,2,4-triazol-1-yl)pyrimidin-2-amine
CID 80868019
[4-(azetidin-1-yl)-5-chloropyrimidin-2-yl]hydrazine
CID 130548753
5-chloro-4-(2-ethylimidazol-1-yl)-N-methylpyrimidin-2-amine
CID 80857792
5-chloro-4-(3,5-diethylpyrazol-1-yl)-N-propylpyrimidin-2-amine
CID 82699718
3,6-dichloro-5-(3,5-diethyl-1,2,4-triazol-1-yl)-1,2,4-triazine
CID 81035222
[4-(azocan-1-yl)-5-chloropyrimidin-2-yl]hydrazine
CID 80932155
1-(5-chloro-2-hydrazinylpyrimidin-4-yl)pyrrolidine-3,4-diol
CID 106674652
6-(3,5-diethyl-1,2,4-triazol-1-yl)-N-ethyl-7H-purin-2-amine
CID 114786743

Frequently Asked Questions

What is the IUPAC name of [5-chloro-4-(3,5-diethyl-1,2,4-triazol-1-yl)pyrimidin-2-yl]hydrazine?
The IUPAC name of [5-chloro-4-(3,5-diethyl-1,2,4-triazol-1-yl)pyrimidin-2-yl]hydrazine (CID 80904057) is [5-chloro-4-(3,5-diethyl-1,2,4-triazol-1-yl)pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [5-chloro-4-(3,5-diethyl-1,2,4-triazol-1-yl)pyrimidin-2-yl]hydrazine?
The canonical SMILES for [5-chloro-4-(3,5-diethyl-1,2,4-triazol-1-yl)pyrimidin-2-yl]hydrazine is CCc1nc(CC)n(-c2nc(NN)ncc2Cl)n1.
What is the InChIKey of [5-chloro-4-(3,5-diethyl-1,2,4-triazol-1-yl)pyrimidin-2-yl]hydrazine?
The InChIKey is NRDPADDAUTYUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN7/c1-3-7-14-8(4-2)18(17-7)9-6(11)5-13-10(15-9)16-12/h5H,3-4,12H2,1-2H3,(H,13,15,16).
What are the key properties of [5-chloro-4-(3,5-diethyl-1,2,4-triazol-1-yl)pyrimidin-2-yl]hydrazine?
[5-chloro-4-(3,5-diethyl-1,2,4-triazol-1-yl)pyrimidin-2-yl]hydrazine has a molecular weight of 267.72 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-4-(3,5-diethyl-1,2,4-triazol-1-yl)pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 80904057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).