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

C6H11N5O — CID 104911614

IUPAC(5S)-5-(3-amino-1H-1,2,4-triazol-5-yl)pyrrolidin-3-ol
SMILESNc1n[nH]c([C@@H]2CC(O)CN2)n1
InChIInChI=1S/C6H11N5O/c7-6-9-5(10-11-6)4-1-3(12)2-8-4/h3-4,8,12H,1-2H2,(H3,7,9,10,11)/t3?,4-/m0/s1
InChIKeyMCCOXKMEEUNUFG-BKLSDQPFSA-N
MW169.19 g/mol
LogP-1.22
Rot. Bonds1

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

(5S)-5-(3-amino-1H-1,2,4-triazol-5-yl)pyrrolidin-3-ol (PubChem CID 104911614) has the molecular formula C6H11N5O and a molecular weight of 169.19 g/mol. Its IUPAC name is (5S)-5-(3-amino-1H-1,2,4-triazol-5-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(5S)-5-(3-amino-1H-1,2,4-triazol-5-yl)pyrrolidin-3-ol
PubChem CID104911614
Molecular FormulaC6H11N5O
Molecular Weight169.19 g/mol
Exact Mass169.10
IUPAC Name(5S)-5-(3-amino-1H-1,2,4-triazol-5-yl)pyrrolidin-3-ol
SMILESNc1n[nH]c([C@@H]2CC(O)CN2)n1
InChIInChI=1S/C6H11N5O/c7-6-9-5(10-11-6)4-1-3(12)2-8-4/h3-4,8,12H,1-2H2,(H3,7,9,10,11)/t3?,4-/m0/s1
InChIKeyMCCOXKMEEUNUFG-BKLSDQPFSA-N
XLogP-1.22
TPSA99.85 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.19
LogP ≤ 5-1.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(3-amino-1H-1,2,4-triazol-5-yl)pyrrolidin-3-ol?
The IUPAC name of (5S)-5-(3-amino-1H-1,2,4-triazol-5-yl)pyrrolidin-3-ol (CID 104911614) is (5S)-5-(3-amino-1H-1,2,4-triazol-5-yl)pyrrolidin-3-ol.
What is the SMILES notation for (5S)-5-(3-amino-1H-1,2,4-triazol-5-yl)pyrrolidin-3-ol?
The canonical SMILES for (5S)-5-(3-amino-1H-1,2,4-triazol-5-yl)pyrrolidin-3-ol is Nc1n[nH]c([C@@H]2CC(O)CN2)n1.
What is the InChIKey of (5S)-5-(3-amino-1H-1,2,4-triazol-5-yl)pyrrolidin-3-ol?
The InChIKey is MCCOXKMEEUNUFG-BKLSDQPFSA-N. The full InChI is InChI=1S/C6H11N5O/c7-6-9-5(10-11-6)4-1-3(12)2-8-4/h3-4,8,12H,1-2H2,(H3,7,9,10,11)/t3?,4-/m0/s1.
What are the key properties of (5S)-5-(3-amino-1H-1,2,4-triazol-5-yl)pyrrolidin-3-ol?
(5S)-5-(3-amino-1H-1,2,4-triazol-5-yl)pyrrolidin-3-ol has a molecular weight of 169.19 g/mol, XLogP of -1.22, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(3-amino-1H-1,2,4-triazol-5-yl)pyrrolidin-3-ol is sourced from PubChem (CID 104911614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).