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

C9H18N6 — CID 66274947

IUPAC3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1H-1,2,4-triazol-5-amine
SMILESCN(C)CC1CCCN1c1n[nH]c(N)n1
InChIInChI=1S/C9H18N6/c1-14(2)6-7-4-3-5-15(7)9-11-8(10)12-13-9/h7H,3-6H2,1-2H3,(H3,10,11,12,13)
InChIKeyBTCADEBKTAKIRK-UHFFFAOYSA-N
MW210.28 g/mol
LogP-0.08
Rot. Bonds3

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

3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1H-1,2,4-triazol-5-amine (PubChem CID 66274947) has the molecular formula C9H18N6 and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1H-1,2,4-triazol-5-amine.

Molecular Properties

Compound Name3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1H-1,2,4-triazol-5-amine
PubChem CID66274947
Molecular FormulaC9H18N6
Molecular Weight210.28 g/mol
Exact Mass210.16
IUPAC Name3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1H-1,2,4-triazol-5-amine
SMILESCN(C)CC1CCCN1c1n[nH]c(N)n1
InChIInChI=1S/C9H18N6/c1-14(2)6-7-4-3-5-15(7)9-11-8(10)12-13-9/h7H,3-6H2,1-2H3,(H3,10,11,12,13)
InChIKeyBTCADEBKTAKIRK-UHFFFAOYSA-N
XLogP-0.08
TPSA74.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1H-1,2,4-triazol-5-amine?
The IUPAC name of 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1H-1,2,4-triazol-5-amine (CID 66274947) is 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1H-1,2,4-triazol-5-amine.
What is the SMILES notation for 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1H-1,2,4-triazol-5-amine?
The canonical SMILES for 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1H-1,2,4-triazol-5-amine is CN(C)CC1CCCN1c1n[nH]c(N)n1.
What is the InChIKey of 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1H-1,2,4-triazol-5-amine?
The InChIKey is BTCADEBKTAKIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N6/c1-14(2)6-7-4-3-5-15(7)9-11-8(10)12-13-9/h7H,3-6H2,1-2H3,(H3,10,11,12,13).
What are the key properties of 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1H-1,2,4-triazol-5-amine?
3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1H-1,2,4-triazol-5-amine has a molecular weight of 210.28 g/mol, XLogP of -0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1H-1,2,4-triazol-5-amine is sourced from PubChem (CID 66274947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).