5-(3-propylpyrrolidin-3-yl)-1H-1,2,4-triazol-3-amine

C9H17N5 — CID 63144808

IUPAC5-(3-propylpyrrolidin-3-yl)-1H-1,2,4-triazol-3-amine
SMILESCCCC1(c2nc(N)n[nH]2)CCNC1
InChIInChI=1S/C9H17N5/c1-2-3-9(4-5-11-6-9)7-12-8(10)14-13-7/h11H,2-6H2,1H3,(H3,10,12,13,14)
InChIKeyVUJDWNXSFHAYIN-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.42
Rot. Bonds3

About 5-(3-propylpyrrolidin-3-yl)-1H-1,2,4-triazol-3-amine

5-(3-propylpyrrolidin-3-yl)-1H-1,2,4-triazol-3-amine (PubChem CID 63144808) has the molecular formula C9H17N5 and a molecular weight of 195.27 g/mol. Its IUPAC name is 5-(3-propylpyrrolidin-3-yl)-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(3-propylpyrrolidin-3-yl)-1H-1,2,4-triazol-3-amine
PubChem CID63144808
Molecular FormulaC9H17N5
Molecular Weight195.27 g/mol
Exact Mass195.15
IUPAC Name5-(3-propylpyrrolidin-3-yl)-1H-1,2,4-triazol-3-amine
SMILESCCCC1(c2nc(N)n[nH]2)CCNC1
InChIInChI=1S/C9H17N5/c1-2-3-9(4-5-11-6-9)7-12-8(10)14-13-7/h11H,2-6H2,1H3,(H3,10,12,13,14)
InChIKeyVUJDWNXSFHAYIN-UHFFFAOYSA-N
XLogP0.42
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-propylpyrrolidin-3-yl)-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-(3-propylpyrrolidin-3-yl)-1H-1,2,4-triazol-3-amine (CID 63144808) is 5-(3-propylpyrrolidin-3-yl)-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(3-propylpyrrolidin-3-yl)-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(3-propylpyrrolidin-3-yl)-1H-1,2,4-triazol-3-amine is CCCC1(c2nc(N)n[nH]2)CCNC1.
What is the InChIKey of 5-(3-propylpyrrolidin-3-yl)-1H-1,2,4-triazol-3-amine?
The InChIKey is VUJDWNXSFHAYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5/c1-2-3-9(4-5-11-6-9)7-12-8(10)14-13-7/h11H,2-6H2,1H3,(H3,10,12,13,14).
What are the key properties of 5-(3-propylpyrrolidin-3-yl)-1H-1,2,4-triazol-3-amine?
5-(3-propylpyrrolidin-3-yl)-1H-1,2,4-triazol-3-amine has a molecular weight of 195.27 g/mol, XLogP of 0.42, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-propylpyrrolidin-3-yl)-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 63144808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).