N-[(2-methyltriazol-4-yl)methyl]pyrrolidin-3-amine

C8H15N5 — CID 118390239

IUPACN-[(2-methyltriazol-4-yl)methyl]pyrrolidin-3-amine
SMILESCn1ncc(CNC2CCNC2)n1
InChIInChI=1S/C8H15N5/c1-13-11-6-8(12-13)5-10-7-2-3-9-4-7/h6-7,9-10H,2-5H2,1H3
InChIKeyRMTKBRIAXVBVBV-UHFFFAOYSA-N
MW181.24 g/mol
LogP-0.73
Rot. Bonds3

About N-[(2-methyltriazol-4-yl)methyl]pyrrolidin-3-amine

N-[(2-methyltriazol-4-yl)methyl]pyrrolidin-3-amine (PubChem CID 118390239) has the molecular formula C8H15N5 and a molecular weight of 181.24 g/mol. Its IUPAC name is N-[(2-methyltriazol-4-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN-[(2-methyltriazol-4-yl)methyl]pyrrolidin-3-amine
PubChem CID118390239
Molecular FormulaC8H15N5
Molecular Weight181.24 g/mol
Exact Mass181.13
IUPAC NameN-[(2-methyltriazol-4-yl)methyl]pyrrolidin-3-amine
SMILESCn1ncc(CNC2CCNC2)n1
InChIInChI=1S/C8H15N5/c1-13-11-6-8(12-13)5-10-7-2-3-9-4-7/h6-7,9-10H,2-5H2,1H3
InChIKeyRMTKBRIAXVBVBV-UHFFFAOYSA-N
XLogP-0.73
TPSA54.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methyltriazol-4-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of N-[(2-methyltriazol-4-yl)methyl]pyrrolidin-3-amine (CID 118390239) is N-[(2-methyltriazol-4-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for N-[(2-methyltriazol-4-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for N-[(2-methyltriazol-4-yl)methyl]pyrrolidin-3-amine is Cn1ncc(CNC2CCNC2)n1.
What is the InChIKey of N-[(2-methyltriazol-4-yl)methyl]pyrrolidin-3-amine?
The InChIKey is RMTKBRIAXVBVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5/c1-13-11-6-8(12-13)5-10-7-2-3-9-4-7/h6-7,9-10H,2-5H2,1H3.
What are the key properties of N-[(2-methyltriazol-4-yl)methyl]pyrrolidin-3-amine?
N-[(2-methyltriazol-4-yl)methyl]pyrrolidin-3-amine has a molecular weight of 181.24 g/mol, XLogP of -0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyltriazol-4-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 118390239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).