1-[1-(5-methyl-2H-triazol-4-yl)ethyl]pyrrolidin-3-amine

C9H17N5 — CID 82400056

IUPAC1-[1-(5-methyl-2H-triazol-4-yl)ethyl]pyrrolidin-3-amine
SMILESCc1n[nH]nc1C(C)N1CCC(N)C1
InChIInChI=1S/C9H17N5/c1-6-9(12-13-11-6)7(2)14-4-3-8(10)5-14/h7-8H,3-5,10H2,1-2H3,(H,11,12,13)
InChIKeyBOVDPJUBHDJUIA-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.21
Rot. Bonds2

About 1-[1-(5-methyl-2H-triazol-4-yl)ethyl]pyrrolidin-3-amine

1-[1-(5-methyl-2H-triazol-4-yl)ethyl]pyrrolidin-3-amine (PubChem CID 82400056) has the molecular formula C9H17N5 and a molecular weight of 195.27 g/mol. Its IUPAC name is 1-[1-(5-methyl-2H-triazol-4-yl)ethyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-[1-(5-methyl-2H-triazol-4-yl)ethyl]pyrrolidin-3-amine
PubChem CID82400056
Molecular FormulaC9H17N5
Molecular Weight195.27 g/mol
Exact Mass195.15
IUPAC Name1-[1-(5-methyl-2H-triazol-4-yl)ethyl]pyrrolidin-3-amine
SMILESCc1n[nH]nc1C(C)N1CCC(N)C1
InChIInChI=1S/C9H17N5/c1-6-9(12-13-11-6)7(2)14-4-3-8(10)5-14/h7-8H,3-5,10H2,1-2H3,(H,11,12,13)
InChIKeyBOVDPJUBHDJUIA-UHFFFAOYSA-N
XLogP0.21
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-5-pyrrolidin-2-yl-2H-triazole
CID 82595068
1-(5-ethyl-2H-triazol-4-yl)-N,N-dimethylmethanamine
CID 155366152
[5-Ethyl-1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanamine
CID 82211129
1-(2,5-dimethyltriazol-4-yl)-N,N-dimethylethane-1,2-diamine
CID 82407020
1-[(5-ethyl-2H-triazol-4-yl)methyl]piperazine
CID 82505483
1-[(5-propan-2-yl-2H-triazol-4-yl)methyl]piperazine
CID 82507932
1-(5-ethyl-2H-triazol-4-yl)-N-methylmethanamine
CID 84762618
4-ethyl-5-pyrrolidin-2-yl-2H-triazole
CID 84765118
2-(5-methyl-2H-triazol-4-yl)piperazine
CID 168492031
1-methyl-3-(5-methyl-2H-triazol-4-yl)piperazine
CID 168492034
1-methyl-2-(5-methyl-2H-triazol-4-yl)piperazine
CID 168492037

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-methyl-2H-triazol-4-yl)ethyl]pyrrolidin-3-amine?
The IUPAC name of 1-[1-(5-methyl-2H-triazol-4-yl)ethyl]pyrrolidin-3-amine (CID 82400056) is 1-[1-(5-methyl-2H-triazol-4-yl)ethyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-[1-(5-methyl-2H-triazol-4-yl)ethyl]pyrrolidin-3-amine?
The canonical SMILES for 1-[1-(5-methyl-2H-triazol-4-yl)ethyl]pyrrolidin-3-amine is Cc1n[nH]nc1C(C)N1CCC(N)C1.
What is the InChIKey of 1-[1-(5-methyl-2H-triazol-4-yl)ethyl]pyrrolidin-3-amine?
The InChIKey is BOVDPJUBHDJUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5/c1-6-9(12-13-11-6)7(2)14-4-3-8(10)5-14/h7-8H,3-5,10H2,1-2H3,(H,11,12,13).
What are the key properties of 1-[1-(5-methyl-2H-triazol-4-yl)ethyl]pyrrolidin-3-amine?
1-[1-(5-methyl-2H-triazol-4-yl)ethyl]pyrrolidin-3-amine has a molecular weight of 195.27 g/mol, XLogP of 0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-methyl-2H-triazol-4-yl)ethyl]pyrrolidin-3-amine is sourced from PubChem (CID 82400056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).