3,5-diethyl-1,2-diaza-4-azanidacyclopenta-2,5-diene

C6H10N3- — CID 102349375

IUPAC3,5-diethyl-1,2-diaza-4-azanidacyclopenta-2,5-diene
SMILESCCc1nnc(CC)[n-]1
InChIInChI=1S/C6H10N3/c1-3-5-7-6(4-2)9-8-5/h3-4H2,1-2H3/q-1
InChIKeyGCKJVISZKSHSTO-UHFFFAOYSA-N
MW124.17 g/mol
LogP0.56
Rot. Bonds2

About 3,5-diethyl-1,2-diaza-4-azanidacyclopenta-2,5-diene

3,5-diethyl-1,2-diaza-4-azanidacyclopenta-2,5-diene (PubChem CID 102349375) has the molecular formula C6H10N3- and a molecular weight of 124.17 g/mol. Its IUPAC name is 3,5-diethyl-1,2-diaza-4-azanidacyclopenta-2,5-diene.

Molecular Properties

Compound Name3,5-diethyl-1,2-diaza-4-azanidacyclopenta-2,5-diene
PubChem CID102349375
Molecular FormulaC6H10N3-
Molecular Weight124.17 g/mol
Exact Mass124.09
IUPAC Name3,5-diethyl-1,2-diaza-4-azanidacyclopenta-2,5-diene
SMILESCCc1nnc(CC)[n-]1
InChIInChI=1S/C6H10N3/c1-3-5-7-6(4-2)9-8-5/h3-4H2,1-2H3/q-1
InChIKeyGCKJVISZKSHSTO-UHFFFAOYSA-N
XLogP0.56
TPSA39.88 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.17
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Amino-3,5-dimethyl-1,2,4-triazole
CID 229800
3,5-diethyl-1H-1,2,4-triazole
CID 15520387
3,5-Diethyl-4h-1,2,4-triazol-4-amine
CID 221248
N,N,3,5-tetramethyl-1,2,4-triazol-4-amine
CID 3419382
3,5-Dipropyl-1,2,4-triazol-4-ylamine
CID 2758722
3,4,5-Trimethyl-4H-1,2,4-triazole
CID 573470
3-methyl-5-propyl-1H-1,2,4-triazole
CID 19014014
5-ethyl-3-methyl-1H-1,2,4-triazole hydrochloride
CID 54593423
3-Ethyl-5-hydrazino-1,2,4-triazole-4-ylamine
CID 2794216
3,5-Bis(1-methylethyl)-4H-1,2,4-triazol-4-amine
CID 14338417
3,5-Dibutyl-4H-1,2,4-triazol-4-amine
CID 14338418
1,3-Dimethyl-5-propan-2-yl-1,2,4-triazole
CID 18338551

Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-1,2-diaza-4-azanidacyclopenta-2,5-diene?
The IUPAC name of 3,5-diethyl-1,2-diaza-4-azanidacyclopenta-2,5-diene (CID 102349375) is 3,5-diethyl-1,2-diaza-4-azanidacyclopenta-2,5-diene.
What is the SMILES notation for 3,5-diethyl-1,2-diaza-4-azanidacyclopenta-2,5-diene?
The canonical SMILES for 3,5-diethyl-1,2-diaza-4-azanidacyclopenta-2,5-diene is CCc1nnc(CC)[n-]1.
What is the InChIKey of 3,5-diethyl-1,2-diaza-4-azanidacyclopenta-2,5-diene?
The InChIKey is GCKJVISZKSHSTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N3/c1-3-5-7-6(4-2)9-8-5/h3-4H2,1-2H3/q-1.
What are the key properties of 3,5-diethyl-1,2-diaza-4-azanidacyclopenta-2,5-diene?
3,5-diethyl-1,2-diaza-4-azanidacyclopenta-2,5-diene has a molecular weight of 124.17 g/mol, XLogP of 0.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyl-1,2-diaza-4-azanidacyclopenta-2,5-diene is sourced from PubChem (CID 102349375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).