3-[4-amino-5-(3-hydroxypropyl)-1,2,4-triazol-3-yl]propan-1-ol

C8H16N4O2 — CID 593494

IUPAC3-[4-amino-5-(3-hydroxypropyl)-1,2,4-triazol-3-yl]propan-1-ol
SMILESNn1c(CCCO)nnc1CCCO
InChIInChI=1S/C8H16N4O2/c9-12-7(3-1-5-13)10-11-8(12)4-2-6-14/h13-14H,1-6,9H2
InChIKeyLHAQDPLNABGTST-UHFFFAOYSA-N
MW200.24 g/mol
LogP-1.16
Rot. Bonds6

About 3-[4-amino-5-(3-hydroxypropyl)-1,2,4-triazol-3-yl]propan-1-ol

3-[4-amino-5-(3-hydroxypropyl)-1,2,4-triazol-3-yl]propan-1-ol (PubChem CID 593494) has the molecular formula C8H16N4O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is 3-[4-amino-5-(3-hydroxypropyl)-1,2,4-triazol-3-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-amino-5-(3-hydroxypropyl)-1,2,4-triazol-3-yl]propan-1-ol
PubChem CID593494
Molecular FormulaC8H16N4O2
Molecular Weight200.24 g/mol
Exact Mass200.13
IUPAC Name3-[4-amino-5-(3-hydroxypropyl)-1,2,4-triazol-3-yl]propan-1-ol
SMILESNn1c(CCCO)nnc1CCCO
InChIInChI=1S/C8H16N4O2/c9-12-7(3-1-5-13)10-11-8(12)4-2-6-14/h13-14H,1-6,9H2
InChIKeyLHAQDPLNABGTST-UHFFFAOYSA-N
XLogP-1.16
TPSA97.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-1.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-amino-5-(3-hydroxypropyl)-1,2,4-triazol-3-yl]propan-1-ol?
The IUPAC name of 3-[4-amino-5-(3-hydroxypropyl)-1,2,4-triazol-3-yl]propan-1-ol (CID 593494) is 3-[4-amino-5-(3-hydroxypropyl)-1,2,4-triazol-3-yl]propan-1-ol.
What is the SMILES notation for 3-[4-amino-5-(3-hydroxypropyl)-1,2,4-triazol-3-yl]propan-1-ol?
The canonical SMILES for 3-[4-amino-5-(3-hydroxypropyl)-1,2,4-triazol-3-yl]propan-1-ol is Nn1c(CCCO)nnc1CCCO.
What is the InChIKey of 3-[4-amino-5-(3-hydroxypropyl)-1,2,4-triazol-3-yl]propan-1-ol?
The InChIKey is LHAQDPLNABGTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O2/c9-12-7(3-1-5-13)10-11-8(12)4-2-6-14/h13-14H,1-6,9H2.
What are the key properties of 3-[4-amino-5-(3-hydroxypropyl)-1,2,4-triazol-3-yl]propan-1-ol?
3-[4-amino-5-(3-hydroxypropyl)-1,2,4-triazol-3-yl]propan-1-ol has a molecular weight of 200.24 g/mol, XLogP of -1.16, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-amino-5-(3-hydroxypropyl)-1,2,4-triazol-3-yl]propan-1-ol is sourced from PubChem (CID 593494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).