(1S,12S)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carbohydrazide

C14H14N4O — CID 99984982

IUPAC(1S,12S)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carbohydrazide
SMILESNNC(=O)c1ccc2nc3c(nc2c1)[C@H]1CC[C@H]3C1
InChIInChI=1S/C14H14N4O/c15-18-14(19)9-3-4-10-11(6-9)17-13-8-2-1-7(5-8)12(13)16-10/h3-4,6-8H,1-2,5,15H2,(H,18,19)/t7-,8-/m0/s1
InChIKeyRELUEYMVZKKWIF-YUMQZZPRSA-N
MW254.29 g/mol
LogP1.60
Rot. Bonds1

About (1S,12S)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carbohydrazide

(1S,12S)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carbohydrazide (PubChem CID 99984982) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is (1S,12S)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carbohydrazide.

Molecular Properties

Compound Name(1S,12S)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carbohydrazide
PubChem CID99984982
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name(1S,12S)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carbohydrazide
SMILESNNC(=O)c1ccc2nc3c(nc2c1)[C@H]1CC[C@H]3C1
InChIInChI=1S/C14H14N4O/c15-18-14(19)9-3-4-10-11(6-9)17-13-8-2-1-7(5-8)12(13)16-10/h3-4,6-8H,1-2,5,15H2,(H,18,19)/t7-,8-/m0/s1
InChIKeyRELUEYMVZKKWIF-YUMQZZPRSA-N
XLogP1.60
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1S,12S)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carbohydrazide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,12S)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carbohydrazide?
The IUPAC name of (1S,12S)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carbohydrazide (CID 99984982) is (1S,12S)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carbohydrazide.
What is the SMILES notation for (1S,12S)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carbohydrazide?
The canonical SMILES for (1S,12S)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carbohydrazide is NNC(=O)c1ccc2nc3c(nc2c1)[C@H]1CC[C@H]3C1.
What is the InChIKey of (1S,12S)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carbohydrazide?
The InChIKey is RELUEYMVZKKWIF-YUMQZZPRSA-N. The full InChI is InChI=1S/C14H14N4O/c15-18-14(19)9-3-4-10-11(6-9)17-13-8-2-1-7(5-8)12(13)16-10/h3-4,6-8H,1-2,5,15H2,(H,18,19)/t7-,8-/m0/s1.
What are the key properties of (1S,12S)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carbohydrazide?
(1S,12S)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carbohydrazide has a molecular weight of 254.29 g/mol, XLogP of 1.60, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,12S)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carbohydrazide is sourced from PubChem (CID 99984982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).