N'-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]-3-methoxy-4-propan-2-yloxybenzohydrazide

C21H26N6O4 — CID 34560913

IUPACN'-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]-3-methoxy-4-propan-2-yloxybenzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)CCc2c(C)nc3ncnn3c2C)ccc1OC(C)C
InChIInChI=1S/C21H26N6O4/c1-12(2)31-17-8-6-15(10-18(17)30-5)20(29)26-25-19(28)9-7-16-13(3)24-21-22-11-23-27(21)14(16)4/h6,8,10-12H,7,9H2,1-5H3,(H,25,28)(H,26,29)
InChIKeyWOHFAXMZYSKPLX-UHFFFAOYSA-N
MW426.48 g/mol
LogP1.93
Rot. Bonds7

About N'-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]-3-methoxy-4-propan-2-yloxybenzohydrazide

N'-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]-3-methoxy-4-propan-2-yloxybenzohydrazide (PubChem CID 34560913) has the molecular formula C21H26N6O4 and a molecular weight of 426.48 g/mol. Its IUPAC name is N'-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]-3-methoxy-4-propan-2-yloxybenzohydrazide.

Molecular Properties

Compound NameN'-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]-3-methoxy-4-propan-2-yloxybenzohydrazide
PubChem CID34560913
Molecular FormulaC21H26N6O4
Molecular Weight426.48 g/mol
Exact Mass426.20
IUPAC NameN'-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]-3-methoxy-4-propan-2-yloxybenzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)CCc2c(C)nc3ncnn3c2C)ccc1OC(C)C
InChIInChI=1S/C21H26N6O4/c1-12(2)31-17-8-6-15(10-18(17)30-5)20(29)26-25-19(28)9-7-16-13(3)24-21-22-11-23-27(21)14(16)4/h6,8,10-12H,7,9H2,1-5H3,(H,25,28)(H,26,29)
InChIKeyWOHFAXMZYSKPLX-UHFFFAOYSA-N
XLogP1.93
TPSA119.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]-3-methoxy-4-propan-2-yloxybenzohydrazide?
The IUPAC name of N'-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]-3-methoxy-4-propan-2-yloxybenzohydrazide (CID 34560913) is N'-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]-3-methoxy-4-propan-2-yloxybenzohydrazide.
What is the SMILES notation for N'-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]-3-methoxy-4-propan-2-yloxybenzohydrazide?
The canonical SMILES for N'-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]-3-methoxy-4-propan-2-yloxybenzohydrazide is COc1cc(C(=O)NNC(=O)CCc2c(C)nc3ncnn3c2C)ccc1OC(C)C.
What is the InChIKey of N'-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]-3-methoxy-4-propan-2-yloxybenzohydrazide?
The InChIKey is WOHFAXMZYSKPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O4/c1-12(2)31-17-8-6-15(10-18(17)30-5)20(29)26-25-19(28)9-7-16-13(3)24-21-22-11-23-27(21)14(16)4/h6,8,10-12H,7,9H2,1-5H3,(H,25,28)(H,26,29).
What are the key properties of N'-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]-3-methoxy-4-propan-2-yloxybenzohydrazide?
N'-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]-3-methoxy-4-propan-2-yloxybenzohydrazide has a molecular weight of 426.48 g/mol, XLogP of 1.93, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]-3-methoxy-4-propan-2-yloxybenzohydrazide is sourced from PubChem (CID 34560913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).