9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(1H-1,2,4-triazol-5-yl)propyl]carbamate

C20H20N4O4 — CID 170833562

About 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(1H-1,2,4-triazol-5-yl)propyl]carbamate

9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(1H-1,2,4-triazol-5-yl)propyl]carbamate (PubChem CID 170833562) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(1H-1,2,4-triazol-5-yl)propyl]carbamate.

Molecular Properties

• Compound Name: 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(1H-1,2,4-triazol-5-yl)propyl]carbamate
• PubChem CID: 170833562
• Molecular Formula: C20H20N4O4
• Molecular Weight: 380.40 g/mol
• Exact Mass: 380.15
• IUPAC Name: 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(1H-1,2,4-triazol-5-yl)propyl]carbamate
• SMILES: O=C(NCC(O)C(O)c1ncn[nH]1)OCC1c2ccccc2-c2ccccc21
• InChI: InChI=1S/C20H20N4O4/c25-17(18(26)19-22-11-23-24-19)9-21-20(27)28-10-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,11,16-18,25-26H,9-10H2,(H,21,27)(H,22,23,24)
• InChIKey: DTACMFVYYAFHJQ-UHFFFAOYSA-N
• XLogP: 1.74
• TPSA: 120.36 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.40
LogP ≤ 5	1.74
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(1H-1,2,4-triazol-5-yl)propyl]carbamate?

The IUPAC name of 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(1H-1,2,4-triazol-5-yl)propyl]carbamate (CID 170833562) is 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(1H-1,2,4-triazol-5-yl)propyl]carbamate.

What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(1H-1,2,4-triazol-5-yl)propyl]carbamate?

The canonical SMILES for 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(1H-1,2,4-triazol-5-yl)propyl]carbamate is O=C(NCC(O)C(O)c1ncn[nH]1)OCC1c2ccccc2-c2ccccc21.

What is the InChIKey of 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(1H-1,2,4-triazol-5-yl)propyl]carbamate?

The InChIKey is DTACMFVYYAFHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4/c25-17(18(26)19-22-11-23-24-19)9-21-20(27)28-10-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,11,16-18,25-26H,9-10H2,(H,21,27)(H,22,23,24).

What are the key properties of 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(1H-1,2,4-triazol-5-yl)propyl]carbamate?

9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(1H-1,2,4-triazol-5-yl)propyl]carbamate has a molecular weight of 380.40 g/mol, XLogP of 1.74, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(1H-1,2,4-triazol-5-yl)propyl]carbamate is sourced from PubChem (CID 170833562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).