2-(4-methyl-1,2,4-triazol-3-yl)-2-pyrrolidin-1-ylethanamine

C9H17N5 — CID 82400069

IUPAC2-(4-methyl-1,2,4-triazol-3-yl)-2-pyrrolidin-1-ylethanamine
SMILESCn1cnnc1C(CN)N1CCCC1
InChIInChI=1S/C9H17N5/c1-13-7-11-12-9(13)8(6-10)14-4-2-3-5-14/h7-8H,2-6,10H2,1H3
InChIKeyODRPLRTVIKKNKP-UHFFFAOYSA-N
MW195.27 g/mol
LogP-0.09
Rot. Bonds3

About 2-(4-methyl-1,2,4-triazol-3-yl)-2-pyrrolidin-1-ylethanamine

2-(4-methyl-1,2,4-triazol-3-yl)-2-pyrrolidin-1-ylethanamine (PubChem CID 82400069) has the molecular formula C9H17N5 and a molecular weight of 195.27 g/mol. Its IUPAC name is 2-(4-methyl-1,2,4-triazol-3-yl)-2-pyrrolidin-1-ylethanamine.

Molecular Properties

Compound Name2-(4-methyl-1,2,4-triazol-3-yl)-2-pyrrolidin-1-ylethanamine
PubChem CID82400069
Molecular FormulaC9H17N5
Molecular Weight195.27 g/mol
Exact Mass195.15
IUPAC Name2-(4-methyl-1,2,4-triazol-3-yl)-2-pyrrolidin-1-ylethanamine
SMILESCn1cnnc1C(CN)N1CCCC1
InChIInChI=1S/C9H17N5/c1-13-7-11-12-9(13)8(6-10)14-4-2-3-5-14/h7-8H,2-6,10H2,1H3
InChIKeyODRPLRTVIKKNKP-UHFFFAOYSA-N
XLogP-0.09
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methyl-1,2,4-triazol-3-yl)propan-1-amine;dihydrochloride
CID 75493399
2-amino-1-(4-methyl-1,2,4-triazol-3-yl)ethanol
CID 66166308
2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)butan-1-amine
CID 131162810
2-(1-methylimidazol-4-yl)-2-pyrrolidin-1-ylethanamine
CID 84739674
2-(1-methylpyrrol-2-yl)-2-pyrrolidin-1-ylethanamine
CID 56724856
2-(3-methylimidazol-4-yl)-2-(1,4-oxazepan-4-yl)ethanamine
CID 66117100
1-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]urea
CID 97089877
(2R)-2-amino-2-(4-methyl-1,2,4-triazol-3-yl)ethanol
CID 94552496
2-(azocan-1-yl)-2-(6-methyl-3-pyridinyl)ethanamine
CID 113457077
2-methyl-1-(4-methyl-1,2,4-triazol-3-yl)propan-1-amine
CID 24693648
1-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 97089880
1-(azepan-1-yl)-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]ethanone
CID 62118099

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,2,4-triazol-3-yl)-2-pyrrolidin-1-ylethanamine?
The IUPAC name of 2-(4-methyl-1,2,4-triazol-3-yl)-2-pyrrolidin-1-ylethanamine (CID 82400069) is 2-(4-methyl-1,2,4-triazol-3-yl)-2-pyrrolidin-1-ylethanamine.
What is the SMILES notation for 2-(4-methyl-1,2,4-triazol-3-yl)-2-pyrrolidin-1-ylethanamine?
The canonical SMILES for 2-(4-methyl-1,2,4-triazol-3-yl)-2-pyrrolidin-1-ylethanamine is Cn1cnnc1C(CN)N1CCCC1.
What is the InChIKey of 2-(4-methyl-1,2,4-triazol-3-yl)-2-pyrrolidin-1-ylethanamine?
The InChIKey is ODRPLRTVIKKNKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5/c1-13-7-11-12-9(13)8(6-10)14-4-2-3-5-14/h7-8H,2-6,10H2,1H3.
What are the key properties of 2-(4-methyl-1,2,4-triazol-3-yl)-2-pyrrolidin-1-ylethanamine?
2-(4-methyl-1,2,4-triazol-3-yl)-2-pyrrolidin-1-ylethanamine has a molecular weight of 195.27 g/mol, XLogP of -0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,2,4-triazol-3-yl)-2-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 82400069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).