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

C10H18N3- — CID 102349376

IUPAC3,5-dibutyl-1,2-diaza-4-azanidacyclopenta-2,5-diene
SMILESCCCCc1nnc(CCCC)[n-]1
InChIInChI=1S/C10H18N3/c1-3-5-7-9-11-10(13-12-9)8-6-4-2/h3-8H2,1-2H3/q-1
InChIKeyVVQMFHMYQBIBRI-UHFFFAOYSA-N
MW180.28 g/mol
LogP2.12
Rot. Bonds6

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

3,5-dibutyl-1,2-diaza-4-azanidacyclopenta-2,5-diene (PubChem CID 102349376) has the molecular formula C10H18N3- and a molecular weight of 180.28 g/mol. Its IUPAC name is 3,5-dibutyl-1,2-diaza-4-azanidacyclopenta-2,5-diene.

Molecular Properties

Compound Name3,5-dibutyl-1,2-diaza-4-azanidacyclopenta-2,5-diene
PubChem CID102349376
Molecular FormulaC10H18N3-
Molecular Weight180.28 g/mol
Exact Mass180.15
IUPAC Name3,5-dibutyl-1,2-diaza-4-azanidacyclopenta-2,5-diene
SMILESCCCCc1nnc(CCCC)[n-]1
InChIInChI=1S/C10H18N3/c1-3-5-7-9-11-10(13-12-9)8-6-4-2/h3-8H2,1-2H3/q-1
InChIKeyVVQMFHMYQBIBRI-UHFFFAOYSA-N
XLogP2.12
TPSA39.88 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.28
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-Diethyl-4h-1,2,4-triazol-4-amine
CID 221248
Sbb059526
CID 2769373
3,5-Dipropyl-1,2,4-triazol-4-ylamine
CID 2758722
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
3,5-Dibutyl-1H-1,2,4-triazole
CID 14955795
3,5-Dipentyl-1h-1,2,4-triazole
CID 19904182
4-Amino-3,5-dipentyl-4h-1,2,4-triazole
CID 53434670
1-(2-Chloropropan-2-yl)-5-pentyl-3-(trifluoromethyl)-1,2,4-triazole
CID 10401599
4-Fluoro-3-propan-2-yl-5-propyl-1,2,4-triazole
CID 141605967
4-Amino-3,5-diisobutyl-4h-1,2,4-triazole
CID 100553551
3-Butyl-5-propan-2-yl-4-(trifluoromethyl)-1,2,4-triazole
CID 151059421

Frequently Asked Questions

What is the IUPAC name of 3,5-dibutyl-1,2-diaza-4-azanidacyclopenta-2,5-diene?
The IUPAC name of 3,5-dibutyl-1,2-diaza-4-azanidacyclopenta-2,5-diene (CID 102349376) is 3,5-dibutyl-1,2-diaza-4-azanidacyclopenta-2,5-diene.
What is the SMILES notation for 3,5-dibutyl-1,2-diaza-4-azanidacyclopenta-2,5-diene?
The canonical SMILES for 3,5-dibutyl-1,2-diaza-4-azanidacyclopenta-2,5-diene is CCCCc1nnc(CCCC)[n-]1.
What is the InChIKey of 3,5-dibutyl-1,2-diaza-4-azanidacyclopenta-2,5-diene?
The InChIKey is VVQMFHMYQBIBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N3/c1-3-5-7-9-11-10(13-12-9)8-6-4-2/h3-8H2,1-2H3/q-1.
What are the key properties of 3,5-dibutyl-1,2-diaza-4-azanidacyclopenta-2,5-diene?
3,5-dibutyl-1,2-diaza-4-azanidacyclopenta-2,5-diene has a molecular weight of 180.28 g/mol, XLogP of 2.12, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibutyl-1,2-diaza-4-azanidacyclopenta-2,5-diene is sourced from PubChem (CID 102349376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).