N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine

C13H25N5 — CID 62991020

IUPACN-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
SMILESCc1nnc(CNCC(C)CN2CCCC2)n1C
InChIInChI=1S/C13H25N5/c1-11(10-18-6-4-5-7-18)8-14-9-13-16-15-12(2)17(13)3/h11,14H,4-10H2,1-3H3
InChIKeyGXZWHLUYBWZJQD-UHFFFAOYSA-N
MW251.38 g/mol
LogP0.95
Rot. Bonds6

About N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine

N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine (PubChem CID 62991020) has the molecular formula C13H25N5 and a molecular weight of 251.38 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
PubChem CID62991020
Molecular FormulaC13H25N5
Molecular Weight251.38 g/mol
Exact Mass251.21
IUPAC NameN-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
SMILESCc1nnc(CNCC(C)CN2CCCC2)n1C
InChIInChI=1S/C13H25N5/c1-11(10-18-6-4-5-7-18)8-14-9-13-16-15-12(2)17(13)3/h11,14H,4-10H2,1-3H3
InChIKeyGXZWHLUYBWZJQD-UHFFFAOYSA-N
XLogP0.95
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 102905487
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2-ethylbutan-1-amine
CID 115756634
2-methyl-3-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine
CID 107911598
2-methyl-N-(pyrimidin-5-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 62993045
N-[(1-ethylimidazol-2-yl)methyl]-2-methyl-3-piperidin-1-ylpropan-1-amine
CID 62350659
2-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 66162182
1,5-dimethyl-4-[[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]methyl]pyrrole-2-carbonitrile
CID 115584550
N-[(3,5-difluorophenyl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 115767635
2-methyl-N-[(5-methylfuran-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 60957579
2-methyl-3-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 61222270
2-methyl-N-[(2-methylphenyl)methyl]-3-piperidin-1-ylpropan-1-amine
CID 54893415
1-cyclopropyl-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 43524641

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine?
The IUPAC name of N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine (CID 62991020) is N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine.
What is the SMILES notation for N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine?
The canonical SMILES for N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine is Cc1nnc(CNCC(C)CN2CCCC2)n1C.
What is the InChIKey of N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine?
The InChIKey is GXZWHLUYBWZJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5/c1-11(10-18-6-4-5-7-18)8-14-9-13-16-15-12(2)17(13)3/h11,14H,4-10H2,1-3H3.
What are the key properties of N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine?
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine has a molecular weight of 251.38 g/mol, XLogP of 0.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine is sourced from PubChem (CID 62991020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).