(3-methyltriazol-4-yl)-(1-propylpyrazol-4-yl)methanol

C10H15N5O — CID 103572650

IUPAC(3-methyltriazol-4-yl)-(1-propylpyrazol-4-yl)methanol
SMILESCCCn1cc(C(O)c2cnnn2C)cn1
InChIInChI=1S/C10H15N5O/c1-3-4-15-7-8(5-12-15)10(16)9-6-11-13-14(9)2/h5-7,10,16H,3-4H2,1-2H3
InChIKeyJYDVIKRQWDUZOX-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.50
Rot. Bonds4

About (3-methyltriazol-4-yl)-(1-propylpyrazol-4-yl)methanol

(3-methyltriazol-4-yl)-(1-propylpyrazol-4-yl)methanol (PubChem CID 103572650) has the molecular formula C10H15N5O and a molecular weight of 221.26 g/mol. Its IUPAC name is (3-methyltriazol-4-yl)-(1-propylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name(3-methyltriazol-4-yl)-(1-propylpyrazol-4-yl)methanol
PubChem CID103572650
Molecular FormulaC10H15N5O
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC Name(3-methyltriazol-4-yl)-(1-propylpyrazol-4-yl)methanol
SMILESCCCn1cc(C(O)c2cnnn2C)cn1
InChIInChI=1S/C10H15N5O/c1-3-4-15-7-8(5-12-15)10(16)9-6-11-13-14(9)2/h5-7,10,16H,3-4H2,1-2H3
InChIKeyJYDVIKRQWDUZOX-UHFFFAOYSA-N
XLogP0.50
TPSA68.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3-methyltriazol-4-yl)-(1-propylpyrazol-4-yl)methanol?
The IUPAC name of (3-methyltriazol-4-yl)-(1-propylpyrazol-4-yl)methanol (CID 103572650) is (3-methyltriazol-4-yl)-(1-propylpyrazol-4-yl)methanol.
What is the SMILES notation for (3-methyltriazol-4-yl)-(1-propylpyrazol-4-yl)methanol?
The canonical SMILES for (3-methyltriazol-4-yl)-(1-propylpyrazol-4-yl)methanol is CCCn1cc(C(O)c2cnnn2C)cn1.
What is the InChIKey of (3-methyltriazol-4-yl)-(1-propylpyrazol-4-yl)methanol?
The InChIKey is JYDVIKRQWDUZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O/c1-3-4-15-7-8(5-12-15)10(16)9-6-11-13-14(9)2/h5-7,10,16H,3-4H2,1-2H3.
What are the key properties of (3-methyltriazol-4-yl)-(1-propylpyrazol-4-yl)methanol?
(3-methyltriazol-4-yl)-(1-propylpyrazol-4-yl)methanol has a molecular weight of 221.26 g/mol, XLogP of 0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyltriazol-4-yl)-(1-propylpyrazol-4-yl)methanol is sourced from PubChem (CID 103572650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).