(1S)-3-amino-1-(3-amino-1H-1,2,4-triazol-5-yl)propan-1-ol

C5H11N5O — CID 107841721

IUPAC(1S)-3-amino-1-(3-amino-1H-1,2,4-triazol-5-yl)propan-1-ol
SMILESNCC[C@H](O)c1nc(N)n[nH]1
InChIInChI=1S/C5H11N5O/c6-2-1-3(11)4-8-5(7)10-9-4/h3,11H,1-2,6H2,(H3,7,8,9,10)/t3-/m0/s1
InChIKeyXPLLNSRUONQRHM-VKHMYHEASA-N
MW157.18 g/mol
LogP-1.23
Rot. Bonds3

About (1S)-3-amino-1-(3-amino-1H-1,2,4-triazol-5-yl)propan-1-ol

(1S)-3-amino-1-(3-amino-1H-1,2,4-triazol-5-yl)propan-1-ol (PubChem CID 107841721) has the molecular formula C5H11N5O and a molecular weight of 157.18 g/mol. Its IUPAC name is (1S)-3-amino-1-(3-amino-1H-1,2,4-triazol-5-yl)propan-1-ol.

Molecular Properties

Compound Name(1S)-3-amino-1-(3-amino-1H-1,2,4-triazol-5-yl)propan-1-ol
PubChem CID107841721
Molecular FormulaC5H11N5O
Molecular Weight157.18 g/mol
Exact Mass157.10
IUPAC Name(1S)-3-amino-1-(3-amino-1H-1,2,4-triazol-5-yl)propan-1-ol
SMILESNCC[C@H](O)c1nc(N)n[nH]1
InChIInChI=1S/C5H11N5O/c6-2-1-3(11)4-8-5(7)10-9-4/h3,11H,1-2,6H2,(H3,7,8,9,10)/t3-/m0/s1
InChIKeyXPLLNSRUONQRHM-VKHMYHEASA-N
XLogP-1.23
TPSA113.84 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.18
LogP ≤ 5-1.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S)-3-amino-1-(3-amino-1H-1,2,4-triazol-5-yl)propan-1-ol?
The IUPAC name of (1S)-3-amino-1-(3-amino-1H-1,2,4-triazol-5-yl)propan-1-ol (CID 107841721) is (1S)-3-amino-1-(3-amino-1H-1,2,4-triazol-5-yl)propan-1-ol.
What is the SMILES notation for (1S)-3-amino-1-(3-amino-1H-1,2,4-triazol-5-yl)propan-1-ol?
The canonical SMILES for (1S)-3-amino-1-(3-amino-1H-1,2,4-triazol-5-yl)propan-1-ol is NCC[C@H](O)c1nc(N)n[nH]1.
What is the InChIKey of (1S)-3-amino-1-(3-amino-1H-1,2,4-triazol-5-yl)propan-1-ol?
The InChIKey is XPLLNSRUONQRHM-VKHMYHEASA-N. The full InChI is InChI=1S/C5H11N5O/c6-2-1-3(11)4-8-5(7)10-9-4/h3,11H,1-2,6H2,(H3,7,8,9,10)/t3-/m0/s1.
What are the key properties of (1S)-3-amino-1-(3-amino-1H-1,2,4-triazol-5-yl)propan-1-ol?
(1S)-3-amino-1-(3-amino-1H-1,2,4-triazol-5-yl)propan-1-ol has a molecular weight of 157.18 g/mol, XLogP of -1.23, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3-amino-1-(3-amino-1H-1,2,4-triazol-5-yl)propan-1-ol is sourced from PubChem (CID 107841721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).