(2R)-1-(triazol-1-yl)propan-2-amine

C5H10N4 — CID 59543908

IUPAC(2R)-1-(triazol-1-yl)propan-2-amine
SMILESC[C@@H](N)Cn1ccnn1
InChIInChI=1S/C5H10N4/c1-5(6)4-9-3-2-7-8-9/h2-3,5H,4,6H2,1H3/t5-/m1/s1
InChIKeyYRPIJELPRQNIEU-RXMQYKEDSA-N
MW126.16 g/mol
LogP-0.37
Rot. Bonds2

About (2R)-1-(triazol-1-yl)propan-2-amine

(2R)-1-(triazol-1-yl)propan-2-amine (PubChem CID 59543908) has the molecular formula C5H10N4 and a molecular weight of 126.16 g/mol. Its IUPAC name is (2R)-1-(triazol-1-yl)propan-2-amine.

Molecular Properties

Compound Name(2R)-1-(triazol-1-yl)propan-2-amine
PubChem CID59543908
Molecular FormulaC5H10N4
Molecular Weight126.16 g/mol
Exact Mass126.09
IUPAC Name(2R)-1-(triazol-1-yl)propan-2-amine
SMILESC[C@@H](N)Cn1ccnn1
InChIInChI=1S/C5H10N4/c1-5(6)4-9-3-2-7-8-9/h2-3,5H,4,6H2,1H3/t5-/m1/s1
InChIKeyYRPIJELPRQNIEU-RXMQYKEDSA-N
XLogP-0.37
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(triazol-1-yl)propan-2-amine?
The IUPAC name of (2R)-1-(triazol-1-yl)propan-2-amine (CID 59543908) is (2R)-1-(triazol-1-yl)propan-2-amine.
What is the SMILES notation for (2R)-1-(triazol-1-yl)propan-2-amine?
The canonical SMILES for (2R)-1-(triazol-1-yl)propan-2-amine is C[C@@H](N)Cn1ccnn1.
What is the InChIKey of (2R)-1-(triazol-1-yl)propan-2-amine?
The InChIKey is YRPIJELPRQNIEU-RXMQYKEDSA-N. The full InChI is InChI=1S/C5H10N4/c1-5(6)4-9-3-2-7-8-9/h2-3,5H,4,6H2,1H3/t5-/m1/s1.
What are the key properties of (2R)-1-(triazol-1-yl)propan-2-amine?
(2R)-1-(triazol-1-yl)propan-2-amine has a molecular weight of 126.16 g/mol, XLogP of -0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(triazol-1-yl)propan-2-amine is sourced from PubChem (CID 59543908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).