[1-[(2-phenyltriazol-4-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride

C14H20ClN5 — CID 119917977

IUPAC[1-[(2-phenyltriazol-4-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
SMILESCl.NCC1CCN(Cc2cnn(-c3ccccc3)n2)C1
InChIInChI=1S/C14H19N5.ClH/c15-8-12-6-7-18(10-12)11-13-9-16-19(17-13)14-4-2-1-3-5-14;/h1-5,9,12H,6-8,10-11,15H2;1H
InChIKeyIGOAFFDKDYWTBF-UHFFFAOYSA-N
MW293.80 g/mol
LogP1.47
Rot. Bonds4

About [1-[(2-phenyltriazol-4-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride

[1-[(2-phenyltriazol-4-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride (PubChem CID 119917977) has the molecular formula C14H20ClN5 and a molecular weight of 293.80 g/mol. Its IUPAC name is [1-[(2-phenyltriazol-4-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-[(2-phenyltriazol-4-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
PubChem CID119917977
Molecular FormulaC14H20ClN5
Molecular Weight293.80 g/mol
Exact Mass293.14
IUPAC Name[1-[(2-phenyltriazol-4-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
SMILESCl.NCC1CCN(Cc2cnn(-c3ccccc3)n2)C1
InChIInChI=1S/C14H19N5.ClH/c15-8-12-6-7-18(10-12)11-13-9-16-19(17-13)14-4-2-1-3-5-14;/h1-5,9,12H,6-8,10-11,15H2;1H
InChIKeyIGOAFFDKDYWTBF-UHFFFAOYSA-N
XLogP1.47
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2-phenyltriazol-4-yl)methyl]piperidin-4-amine
CID 29009204
1-[(2-phenyltriazol-4-yl)methyl]piperazine;hydrochloride
CID 119904272
[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methanamine;hydrochloride
CID 71644926
4-[[3-(3-methylphenyl)pyrrolidin-1-yl]methyl]-2-phenyltriazole
CID 167809385
[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 119918076
[1-[(1-phenylpyrazol-3-yl)methyl]piperidin-4-yl]methanamine
CID 62885174
(2R)-1-[(2R)-2-methyl-4-[(2-phenyltriazol-4-yl)methyl]piperazin-1-yl]propan-2-ol
CID 95602266
(2R)-1-[4-[[(2-phenyltriazol-4-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 95290386
5-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-N-methyl-N-phenylpyridin-2-amine;hydrochloride
CID 120837862
3-cyclopropyl-N-[(2-phenyltriazol-4-yl)methyl]propan-1-amine
CID 115639415
[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methanamine;dihydrate;dihydrochloride
CID 90647197
[1-[(5-ethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methanamine
CID 79739861

Frequently Asked Questions

What is the IUPAC name of [1-[(2-phenyltriazol-4-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride?
The IUPAC name of [1-[(2-phenyltriazol-4-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride (CID 119917977) is [1-[(2-phenyltriazol-4-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-[(2-phenyltriazol-4-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride?
The canonical SMILES for [1-[(2-phenyltriazol-4-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride is Cl.NCC1CCN(Cc2cnn(-c3ccccc3)n2)C1.
What is the InChIKey of [1-[(2-phenyltriazol-4-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride?
The InChIKey is IGOAFFDKDYWTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5.ClH/c15-8-12-6-7-18(10-12)11-13-9-16-19(17-13)14-4-2-1-3-5-14;/h1-5,9,12H,6-8,10-11,15H2;1H.
What are the key properties of [1-[(2-phenyltriazol-4-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride?
[1-[(2-phenyltriazol-4-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride has a molecular weight of 293.80 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-phenyltriazol-4-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride is sourced from PubChem (CID 119917977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).