N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-propan-2-ylpyrrolidin-3-amine

C11H21N5 — CID 115881375

IUPACN-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-propan-2-ylpyrrolidin-3-amine
SMILESCC(C)N1CCC(NCc2ncn(C)n2)C1
InChIInChI=1S/C11H21N5/c1-9(2)16-5-4-10(7-16)12-6-11-13-8-15(3)14-11/h8-10,12H,4-7H2,1-3H3
InChIKeyJCTPHQVMALCFFJ-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.39
Rot. Bonds4

About N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-propan-2-ylpyrrolidin-3-amine

N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-propan-2-ylpyrrolidin-3-amine (PubChem CID 115881375) has the molecular formula C11H21N5 and a molecular weight of 223.32 g/mol. Its IUPAC name is N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-propan-2-ylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-propan-2-ylpyrrolidin-3-amine
PubChem CID115881375
Molecular FormulaC11H21N5
Molecular Weight223.32 g/mol
Exact Mass223.18
IUPAC NameN-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-propan-2-ylpyrrolidin-3-amine
SMILESCC(C)N1CCC(NCc2ncn(C)n2)C1
InChIInChI=1S/C11H21N5/c1-9(2)16-5-4-10(7-16)12-6-11-13-8-15(3)14-11/h8-10,12H,4-7H2,1-3H3
InChIKeyJCTPHQVMALCFFJ-UHFFFAOYSA-N
XLogP0.39
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,2,4-oxadiazol-3-ylmethyl)-1-propan-2-ylpyrrolidin-3-amine
CID 106392900
N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-4-propan-2-ylcycloheptan-1-amine
CID 103884508
1-[4-[(1-methyl-1,2,4-triazol-3-yl)methylamino]piperidin-1-yl]ethanone
CID 103884564
1-methylsulfonyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-amine
CID 113349407
N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thian-4-amine
CID 103884514
N-(1H-imidazol-2-ylmethyl)-1-propan-2-ylpyrrolidin-3-amine
CID 63823265
ethyl 4-[(1-methyl-1,2,4-triazol-3-yl)methylamino]piperidine-1-carboxylate
CID 103884572
N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-4-phenylcyclohexan-1-amine
CID 103907068
4-(2-methylbutan-2-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine
CID 103884490
1-cyclopropyl-2-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]propan-1-amine
CID 115897334
N-[(2,5-difluorophenyl)methyl]-1-propan-2-ylpyrrolidin-3-amine
CID 55225914
2-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]amino]ethanol
CID 147943395

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-propan-2-ylpyrrolidin-3-amine?
The IUPAC name of N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-propan-2-ylpyrrolidin-3-amine (CID 115881375) is N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-propan-2-ylpyrrolidin-3-amine.
What is the SMILES notation for N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-propan-2-ylpyrrolidin-3-amine?
The canonical SMILES for N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-propan-2-ylpyrrolidin-3-amine is CC(C)N1CCC(NCc2ncn(C)n2)C1.
What is the InChIKey of N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-propan-2-ylpyrrolidin-3-amine?
The InChIKey is JCTPHQVMALCFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5/c1-9(2)16-5-4-10(7-16)12-6-11-13-8-15(3)14-11/h8-10,12H,4-7H2,1-3H3.
What are the key properties of N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-propan-2-ylpyrrolidin-3-amine?
N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-propan-2-ylpyrrolidin-3-amine has a molecular weight of 223.32 g/mol, XLogP of 0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-propan-2-ylpyrrolidin-3-amine is sourced from PubChem (CID 115881375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).