1-[(1H-1,2,4-triazol-5-ylamino)methyl]azetidin-3-ol

C6H11N5O — CID 123895919

IUPAC1-[(1H-1,2,4-triazol-5-ylamino)methyl]azetidin-3-ol
SMILESOC1CN(CNc2ncn[nH]2)C1
InChIInChI=1S/C6H11N5O/c12-5-1-11(2-5)4-8-6-7-3-9-10-6/h3,5,12H,1-2,4H2,(H2,7,8,9,10)
InChIKeyIXHQSMJVVWPZBT-UHFFFAOYSA-N
MW169.19 g/mol
LogP-1.15
Rot. Bonds3

About 1-[(1H-1,2,4-triazol-5-ylamino)methyl]azetidin-3-ol

1-[(1H-1,2,4-triazol-5-ylamino)methyl]azetidin-3-ol (PubChem CID 123895919) has the molecular formula C6H11N5O and a molecular weight of 169.19 g/mol. Its IUPAC name is 1-[(1H-1,2,4-triazol-5-ylamino)methyl]azetidin-3-ol.

Molecular Properties

Compound Name1-[(1H-1,2,4-triazol-5-ylamino)methyl]azetidin-3-ol
PubChem CID123895919
Molecular FormulaC6H11N5O
Molecular Weight169.19 g/mol
Exact Mass169.10
IUPAC Name1-[(1H-1,2,4-triazol-5-ylamino)methyl]azetidin-3-ol
SMILESOC1CN(CNc2ncn[nH]2)C1
InChIInChI=1S/C6H11N5O/c12-5-1-11(2-5)4-8-6-7-3-9-10-6/h3,5,12H,1-2,4H2,(H2,7,8,9,10)
InChIKeyIXHQSMJVVWPZBT-UHFFFAOYSA-N
XLogP-1.15
TPSA77.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.19
LogP ≤ 5-1.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(1H-1,2,4-triazol-5-ylamino)methyl]azetidin-3-ol?
The IUPAC name of 1-[(1H-1,2,4-triazol-5-ylamino)methyl]azetidin-3-ol (CID 123895919) is 1-[(1H-1,2,4-triazol-5-ylamino)methyl]azetidin-3-ol.
What is the SMILES notation for 1-[(1H-1,2,4-triazol-5-ylamino)methyl]azetidin-3-ol?
The canonical SMILES for 1-[(1H-1,2,4-triazol-5-ylamino)methyl]azetidin-3-ol is OC1CN(CNc2ncn[nH]2)C1.
What is the InChIKey of 1-[(1H-1,2,4-triazol-5-ylamino)methyl]azetidin-3-ol?
The InChIKey is IXHQSMJVVWPZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5O/c12-5-1-11(2-5)4-8-6-7-3-9-10-6/h3,5,12H,1-2,4H2,(H2,7,8,9,10).
What are the key properties of 1-[(1H-1,2,4-triazol-5-ylamino)methyl]azetidin-3-ol?
1-[(1H-1,2,4-triazol-5-ylamino)methyl]azetidin-3-ol has a molecular weight of 169.19 g/mol, XLogP of -1.15, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1H-1,2,4-triazol-5-ylamino)methyl]azetidin-3-ol is sourced from PubChem (CID 123895919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).