1-propan-2-yl-5-(pyrrolidin-3-ylmethyl)triazole

C10H18N4 — CID 84733214

IUPAC1-propan-2-yl-5-(pyrrolidin-3-ylmethyl)triazole
SMILESCC(C)n1nncc1CC1CCNC1
InChIInChI=1S/C10H18N4/c1-8(2)14-10(7-12-13-14)5-9-3-4-11-6-9/h7-9,11H,3-6H2,1-2H3
InChIKeyFMQIAKCMKYLJTA-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.01
Rot. Bonds3

About 1-propan-2-yl-5-(pyrrolidin-3-ylmethyl)triazole

1-propan-2-yl-5-(pyrrolidin-3-ylmethyl)triazole (PubChem CID 84733214) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-propan-2-yl-5-(pyrrolidin-3-ylmethyl)triazole.

Molecular Properties

Compound Name1-propan-2-yl-5-(pyrrolidin-3-ylmethyl)triazole
PubChem CID84733214
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name1-propan-2-yl-5-(pyrrolidin-3-ylmethyl)triazole
SMILESCC(C)n1nncc1CC1CCNC1
InChIInChI=1S/C10H18N4/c1-8(2)14-10(7-12-13-14)5-9-3-4-11-6-9/h7-9,11H,3-6H2,1-2H3
InChIKeyFMQIAKCMKYLJTA-UHFFFAOYSA-N
XLogP1.01
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-1-(pyrrolidin-3-ylmethyl)triazole
CID 115013206
4-propan-2-yl-2-(pyrrolidin-3-ylmethyl)-1,3-thiazole
CID 105464499
4-methyl-3-[[(3S)-pyrrolidin-3-yl]methyl]-1,2,4-triazole
CID 97011669
4-(2-propan-2-ylpyrazol-3-yl)-6-(pyrrolidin-3-ylmethyl)pyrimidine
CID 110101288
2-[2-(pyrrolidin-3-ylmethyl)-1,3-thiazol-4-yl]propan-1-ol
CID 115087963
1-propyl-5-(pyrrolidin-3-ylmethyl)pyrazole
CID 114557866
2-methyl-5-[[(3S)-pyrrolidin-3-yl]methyl]pyrazine
CID 157065422
5-methoxy-2-[[(3R)-pyrrolidin-3-yl]methyl]pyridine
CID 146288202
2,5-dimethyl-6-(pyrrolidin-3-ylmethyl)-1,2-dihydropyrazine
CID 135135279
2-[2-(pyrrolidin-3-ylmethyl)-1,3-oxazol-5-yl]propan-1-ol
CID 115085252
1-(cyclobutylmethyl)-5-(pyrrolidin-3-ylmethyl)pyrazole
CID 84685100
1-cyclopropyl-5-methyl-2-(pyrrolidin-3-ylmethyl)imidazole
CID 90488069

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-5-(pyrrolidin-3-ylmethyl)triazole?
The IUPAC name of 1-propan-2-yl-5-(pyrrolidin-3-ylmethyl)triazole (CID 84733214) is 1-propan-2-yl-5-(pyrrolidin-3-ylmethyl)triazole.
What is the SMILES notation for 1-propan-2-yl-5-(pyrrolidin-3-ylmethyl)triazole?
The canonical SMILES for 1-propan-2-yl-5-(pyrrolidin-3-ylmethyl)triazole is CC(C)n1nncc1CC1CCNC1.
What is the InChIKey of 1-propan-2-yl-5-(pyrrolidin-3-ylmethyl)triazole?
The InChIKey is FMQIAKCMKYLJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-8(2)14-10(7-12-13-14)5-9-3-4-11-6-9/h7-9,11H,3-6H2,1-2H3.
What are the key properties of 1-propan-2-yl-5-(pyrrolidin-3-ylmethyl)triazole?
1-propan-2-yl-5-(pyrrolidin-3-ylmethyl)triazole has a molecular weight of 194.28 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-5-(pyrrolidin-3-ylmethyl)triazole is sourced from PubChem (CID 84733214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).