6-[(1H-1,2,4-triazol-5-ylmethylamino)methyl]pyridin-3-ol

C9H11N5O — CID 79783648

IUPAC6-[(1H-1,2,4-triazol-5-ylmethylamino)methyl]pyridin-3-ol
SMILESOc1ccc(CNCc2ncn[nH]2)nc1
InChIInChI=1S/C9H11N5O/c15-8-2-1-7(11-4-8)3-10-5-9-12-6-13-14-9/h1-2,4,6,10,15H,3,5H2,(H,12,13,14)
InChIKeyRFAXDGMQBKBIPO-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.20
Rot. Bonds4

About 6-[(1H-1,2,4-triazol-5-ylmethylamino)methyl]pyridin-3-ol

6-[(1H-1,2,4-triazol-5-ylmethylamino)methyl]pyridin-3-ol (PubChem CID 79783648) has the molecular formula C9H11N5O and a molecular weight of 205.22 g/mol. Its IUPAC name is 6-[(1H-1,2,4-triazol-5-ylmethylamino)methyl]pyridin-3-ol.

Molecular Properties

Compound Name6-[(1H-1,2,4-triazol-5-ylmethylamino)methyl]pyridin-3-ol
PubChem CID79783648
Molecular FormulaC9H11N5O
Molecular Weight205.22 g/mol
Exact Mass205.10
IUPAC Name6-[(1H-1,2,4-triazol-5-ylmethylamino)methyl]pyridin-3-ol
SMILESOc1ccc(CNCc2ncn[nH]2)nc1
InChIInChI=1S/C9H11N5O/c15-8-2-1-7(11-4-8)3-10-5-9-12-6-13-14-9/h1-2,4,6,10,15H,3,5H2,(H,12,13,14)
InChIKeyRFAXDGMQBKBIPO-UHFFFAOYSA-N
XLogP0.20
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(1H-1,2,4-triazol-5-ylmethylamino)methyl]pyridin-3-ol?
The IUPAC name of 6-[(1H-1,2,4-triazol-5-ylmethylamino)methyl]pyridin-3-ol (CID 79783648) is 6-[(1H-1,2,4-triazol-5-ylmethylamino)methyl]pyridin-3-ol.
What is the SMILES notation for 6-[(1H-1,2,4-triazol-5-ylmethylamino)methyl]pyridin-3-ol?
The canonical SMILES for 6-[(1H-1,2,4-triazol-5-ylmethylamino)methyl]pyridin-3-ol is Oc1ccc(CNCc2ncn[nH]2)nc1.
What is the InChIKey of 6-[(1H-1,2,4-triazol-5-ylmethylamino)methyl]pyridin-3-ol?
The InChIKey is RFAXDGMQBKBIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O/c15-8-2-1-7(11-4-8)3-10-5-9-12-6-13-14-9/h1-2,4,6,10,15H,3,5H2,(H,12,13,14).
What are the key properties of 6-[(1H-1,2,4-triazol-5-ylmethylamino)methyl]pyridin-3-ol?
6-[(1H-1,2,4-triazol-5-ylmethylamino)methyl]pyridin-3-ol has a molecular weight of 205.22 g/mol, XLogP of 0.20, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1H-1,2,4-triazol-5-ylmethylamino)methyl]pyridin-3-ol is sourced from PubChem (CID 79783648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).