4-(triazol-1-yl)pyrrolidin-3-amine

C6H11N5 — CID 19005950

IUPAC4-(triazol-1-yl)pyrrolidin-3-amine
SMILESNC1CNCC1n1ccnn1
InChIInChI=1S/C6H11N5/c7-5-3-8-4-6(5)11-2-1-9-10-11/h1-2,5-6,8H,3-4,7H2
InChIKeyBXBQRMOPERLBTD-UHFFFAOYSA-N
MW153.19 g/mol
LogP-1.25
Rot. Bonds1

About 4-(triazol-1-yl)pyrrolidin-3-amine

4-(triazol-1-yl)pyrrolidin-3-amine (PubChem CID 19005950) has the molecular formula C6H11N5 and a molecular weight of 153.19 g/mol. Its IUPAC name is 4-(triazol-1-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name4-(triazol-1-yl)pyrrolidin-3-amine
PubChem CID19005950
Molecular FormulaC6H11N5
Molecular Weight153.19 g/mol
Exact Mass153.10
IUPAC Name4-(triazol-1-yl)pyrrolidin-3-amine
SMILESNC1CNCC1n1ccnn1
InChIInChI=1S/C6H11N5/c7-5-3-8-4-6(5)11-2-1-9-10-11/h1-2,5-6,8H,3-4,7H2
InChIKeyBXBQRMOPERLBTD-UHFFFAOYSA-N
XLogP-1.25
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 5-1.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(triazol-1-yl)pyrrolidin-3-amine?
The IUPAC name of 4-(triazol-1-yl)pyrrolidin-3-amine (CID 19005950) is 4-(triazol-1-yl)pyrrolidin-3-amine.
What is the SMILES notation for 4-(triazol-1-yl)pyrrolidin-3-amine?
The canonical SMILES for 4-(triazol-1-yl)pyrrolidin-3-amine is NC1CNCC1n1ccnn1.
What is the InChIKey of 4-(triazol-1-yl)pyrrolidin-3-amine?
The InChIKey is BXBQRMOPERLBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5/c7-5-3-8-4-6(5)11-2-1-9-10-11/h1-2,5-6,8H,3-4,7H2.
What are the key properties of 4-(triazol-1-yl)pyrrolidin-3-amine?
4-(triazol-1-yl)pyrrolidin-3-amine has a molecular weight of 153.19 g/mol, XLogP of -1.25, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(triazol-1-yl)pyrrolidin-3-amine is sourced from PubChem (CID 19005950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).