(2S)-2-amino-1-(1H-1,2,4-triazol-5-yl)propan-1-ol

C5H10N4O — CID 118525717

IUPAC(2S)-2-amino-1-(1H-1,2,4-triazol-5-yl)propan-1-ol
SMILESC[C@H](N)C(O)c1ncn[nH]1
InChIInChI=1S/C5H10N4O/c1-3(6)4(10)5-7-2-8-9-5/h2-4,10H,6H2,1H3,(H,7,8,9)/t3-,4?/m0/s1
InChIKeyBWPAQCKFFSCPJZ-WUCPZUCCSA-N
MW142.16 g/mol
LogP-0.81
Rot. Bonds2

About (2S)-2-amino-1-(1H-1,2,4-triazol-5-yl)propan-1-ol

(2S)-2-amino-1-(1H-1,2,4-triazol-5-yl)propan-1-ol (PubChem CID 118525717) has the molecular formula C5H10N4O and a molecular weight of 142.16 g/mol. Its IUPAC name is (2S)-2-amino-1-(1H-1,2,4-triazol-5-yl)propan-1-ol.

Molecular Properties

Compound Name(2S)-2-amino-1-(1H-1,2,4-triazol-5-yl)propan-1-ol
PubChem CID118525717
Molecular FormulaC5H10N4O
Molecular Weight142.16 g/mol
Exact Mass142.09
IUPAC Name(2S)-2-amino-1-(1H-1,2,4-triazol-5-yl)propan-1-ol
SMILESC[C@H](N)C(O)c1ncn[nH]1
InChIInChI=1S/C5H10N4O/c1-3(6)4(10)5-7-2-8-9-5/h2-4,10H,6H2,1H3,(H,7,8,9)/t3-,4?/m0/s1
InChIKeyBWPAQCKFFSCPJZ-WUCPZUCCSA-N
XLogP-0.81
TPSA87.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-0.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-(1H-1,2,4-triazol-5-yl)propan-1-ol?
The IUPAC name of (2S)-2-amino-1-(1H-1,2,4-triazol-5-yl)propan-1-ol (CID 118525717) is (2S)-2-amino-1-(1H-1,2,4-triazol-5-yl)propan-1-ol.
What is the SMILES notation for (2S)-2-amino-1-(1H-1,2,4-triazol-5-yl)propan-1-ol?
The canonical SMILES for (2S)-2-amino-1-(1H-1,2,4-triazol-5-yl)propan-1-ol is C[C@H](N)C(O)c1ncn[nH]1.
What is the InChIKey of (2S)-2-amino-1-(1H-1,2,4-triazol-5-yl)propan-1-ol?
The InChIKey is BWPAQCKFFSCPJZ-WUCPZUCCSA-N. The full InChI is InChI=1S/C5H10N4O/c1-3(6)4(10)5-7-2-8-9-5/h2-4,10H,6H2,1H3,(H,7,8,9)/t3-,4?/m0/s1.
What are the key properties of (2S)-2-amino-1-(1H-1,2,4-triazol-5-yl)propan-1-ol?
(2S)-2-amino-1-(1H-1,2,4-triazol-5-yl)propan-1-ol has a molecular weight of 142.16 g/mol, XLogP of -0.81, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-(1H-1,2,4-triazol-5-yl)propan-1-ol is sourced from PubChem (CID 118525717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).