(3-propyltriazol-4-yl)-pyridazin-4-ylmethanol

C10H13N5O — CID 105126997

IUPAC(3-propyltriazol-4-yl)-pyridazin-4-ylmethanol
SMILESCCCn1nncc1C(O)c1ccnnc1
InChIInChI=1S/C10H13N5O/c1-2-5-15-9(7-13-14-15)10(16)8-3-4-11-12-6-8/h3-4,6-7,10,16H,2,5H2,1H3
InChIKeyADUQOXDDUGWGMG-UHFFFAOYSA-N
MW219.25 g/mol
LogP0.56
Rot. Bonds4

About (3-propyltriazol-4-yl)-pyridazin-4-ylmethanol

(3-propyltriazol-4-yl)-pyridazin-4-ylmethanol (PubChem CID 105126997) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is (3-propyltriazol-4-yl)-pyridazin-4-ylmethanol.

Molecular Properties

Compound Name(3-propyltriazol-4-yl)-pyridazin-4-ylmethanol
PubChem CID105126997
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name(3-propyltriazol-4-yl)-pyridazin-4-ylmethanol
SMILESCCCn1nncc1C(O)c1ccnnc1
InChIInChI=1S/C10H13N5O/c1-2-5-15-9(7-13-14-15)10(16)8-3-4-11-12-6-8/h3-4,6-7,10,16H,2,5H2,1H3
InChIKeyADUQOXDDUGWGMG-UHFFFAOYSA-N
XLogP0.56
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-methylphenyl)-(3-propyltriazol-4-yl)methanol
CID 114684818
(3,5-dimethylphenyl)-(3-propyltriazol-4-yl)methanol
CID 114684920
(3-propyltriazol-4-yl)-(3,4,5-trifluorophenyl)methanol
CID 114684911
(3,4-dimethoxyphenyl)-(3-propyltriazol-4-yl)methanol
CID 114684701
(4-bromo-3-methylphenyl)-(3-propyltriazol-4-yl)methanol
CID 114685279
(5-iodothiophen-3-yl)-(3-propyltriazol-4-yl)methanol
CID 115834141
4-(3-propyltriazol-4-yl)pentan-2-ol
CID 114690551
(3-fluoro-4-methoxyphenyl)-(3-propyltriazol-4-yl)methanol
CID 114685101
(3-phenyltriazol-4-yl)-pyridazin-4-ylmethanol
CID 105128605
(2,4-dibromophenyl)-(3-propyltriazol-4-yl)methanol
CID 114019485
(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(3-propyltriazol-4-yl)methanol
CID 114684943
cyclopentyl-(3-propyltriazol-4-yl)methanol
CID 114684940

Frequently Asked Questions

What is the IUPAC name of (3-propyltriazol-4-yl)-pyridazin-4-ylmethanol?
The IUPAC name of (3-propyltriazol-4-yl)-pyridazin-4-ylmethanol (CID 105126997) is (3-propyltriazol-4-yl)-pyridazin-4-ylmethanol.
What is the SMILES notation for (3-propyltriazol-4-yl)-pyridazin-4-ylmethanol?
The canonical SMILES for (3-propyltriazol-4-yl)-pyridazin-4-ylmethanol is CCCn1nncc1C(O)c1ccnnc1.
What is the InChIKey of (3-propyltriazol-4-yl)-pyridazin-4-ylmethanol?
The InChIKey is ADUQOXDDUGWGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c1-2-5-15-9(7-13-14-15)10(16)8-3-4-11-12-6-8/h3-4,6-7,10,16H,2,5H2,1H3.
What are the key properties of (3-propyltriazol-4-yl)-pyridazin-4-ylmethanol?
(3-propyltriazol-4-yl)-pyridazin-4-ylmethanol has a molecular weight of 219.25 g/mol, XLogP of 0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propyltriazol-4-yl)-pyridazin-4-ylmethanol is sourced from PubChem (CID 105126997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).