NOWDUYRDQFAINJ-UHFFFAOYSA-N

Name: NOWDUYRDQFAINJ-UHFFFAOYSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₃H₂₉N₅O₃ — CID 135907042

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-1,2,4-triazol-5-one

SMILESCC(C)c1cc(-c2n[nH]c(=O)n2-c2ccc(CN3CCN(C)CC3)cc2)c(O)cc1O

InChIInChI=1S/C23H29N5O3/c1-15(2)18-12-19(21(30)13-20(18)29)22-24-25-23(31)28(22)17-6-4-16(5-7-17)14-27-10-8-26(3)9-11-27/h4-7,12-13,15,29-30H,8-11,14H2,1-3H3,(H,25,31)

InChIKeyNOWDUYRDQFAINJ-UHFFFAOYSA-N

MW423.52 g/mol

LogP2.51

Rot. Bonds5

About NOWDUYRDQFAINJ-UHFFFAOYSA-N

NOWDUYRDQFAINJ-UHFFFAOYSA-N (PubChem CID 135907042) has the molecular formula C₂₃H₂₉N₅O₃ and a molecular weight of 423.52 g/mol. Its IUPAC name is 3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name	NOWDUYRDQFAINJ-UHFFFAOYSA-N
PubChem CID	135907042
Molecular Formula	C₂₃H₂₉N₅O₃
Molecular Weight	423.52 g/mol
Exact Mass	423.23
IUPAC Name	3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-1,2,4-triazol-5-one
SMILES	CC(C)c1cc(-c2n[nH]c(=O)n2-c2ccc(CN3CCN(C)CC3)cc2)c(O)cc1O
InChI	InChI=1S/C23H29N5O3/c1-15(2)18-12-19(21(30)13-20(18)29)22-24-25-23(31)28(22)17-6-4-16(5-7-17)14-27-10-8-26(3)9-11-27/h4-7,12-13,15,29-30H,8-11,14H2,1-3H3,(H,25,31)
InChIKey	NOWDUYRDQFAINJ-UHFFFAOYSA-N
XLogP	2.51
TPSA	97.62 Å²
H-Bond Donors	3
H-Bond Acceptors	7
Rotatable Bonds	5
Heavy Atoms	31
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.52
LogP ≤ 5	2.51
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of NOWDUYRDQFAINJ-UHFFFAOYSA-N?

The IUPAC name of NOWDUYRDQFAINJ-UHFFFAOYSA-N (CID 135907042) is 3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-1,2,4-triazol-5-one.

What is the SMILES notation for NOWDUYRDQFAINJ-UHFFFAOYSA-N?

The canonical SMILES for NOWDUYRDQFAINJ-UHFFFAOYSA-N is CC(C)c1cc(-c2n[nH]c(=O)n2-c2ccc(CN3CCN(C)CC3)cc2)c(O)cc1O.

What is the InChIKey of NOWDUYRDQFAINJ-UHFFFAOYSA-N?

The InChIKey is NOWDUYRDQFAINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O3/c1-15(2)18-12-19(21(30)13-20(18)29)22-24-25-23(31)28(22)17-6-4-16(5-7-17)14-27-10-8-26(3)9-11-27/h4-7,12-13,15,29-30H,8-11,14H2,1-3H3,(H,25,31).

What are the key properties of NOWDUYRDQFAINJ-UHFFFAOYSA-N?

NOWDUYRDQFAINJ-UHFFFAOYSA-N has a molecular weight of 423.52 g/mol, XLogP of 2.51, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for NOWDUYRDQFAINJ-UHFFFAOYSA-N is sourced from PubChem (CID 135907042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 135907042 — identifiers, structure, computed properties (public domain)

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