1-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol

C12H23N5O — CID 55038339

IUPAC1-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol
SMILESCC(NCC(O)CN1CCCC1)c1nncn1C
InChIInChI=1S/C12H23N5O/c1-10(12-15-14-9-16(12)2)13-7-11(18)8-17-5-3-4-6-17/h9-11,13,18H,3-8H2,1-2H3
InChIKeyVAYMNNYAKLWWAX-UHFFFAOYSA-N
MW253.35 g/mol
LogP-0.08
Rot. Bonds6

About 1-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol

1-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol (PubChem CID 55038339) has the molecular formula C12H23N5O and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol
PubChem CID55038339
Molecular FormulaC12H23N5O
Molecular Weight253.35 g/mol
Exact Mass253.19
IUPAC Name1-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol
SMILESCC(NCC(O)CN1CCCC1)c1nncn1C
InChIInChI=1S/C12H23N5O/c1-10(12-15-14-9-16(12)2)13-7-11(18)8-17-5-3-4-6-17/h9-11,13,18H,3-8H2,1-2H3
InChIKeyVAYMNNYAKLWWAX-UHFFFAOYSA-N
XLogP-0.08
TPSA66.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-1-{[5-(cis-3-aminocyclobutyl)-4-ethyl-4H-1,2,4-triazol-3-yl]methyl}pyrrolidin-3-ol
CID 91774698
3-[(2S,4R)-4-Methoxypyrrolidin-2-yl]-4-methyl-4H-1,2,4-triazole
CID 94552503
(1S)-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethanamine
CID 164634458
1,1,1-Trifluoro-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol
CID 63899230
1,1,1-Trifluoro-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol
CID 63899846
1,1,1-Trifluoro-3-[(4-methyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol
CID 63902306
1,1-Difluoro-3-[(2-propan-2-yl-1,2,4-triazol-3-yl)methylamino]propan-2-ol
CID 105645152
1,1-Difluoro-3-[(4-methyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol
CID 105645855
3-[(4-Ethyl-1,2,4-triazol-3-yl)methylamino]-1,1,1-trifluoropropan-2-ol
CID 106302657
1,1,1-Trifluoro-3-[(2-propan-2-yl-1,2,4-triazol-3-yl)methylamino]propan-2-ol
CID 114093382
1,1,1-Trifluoro-3-[2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]propan-2-ol
CID 136531537
N-{1-[4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]ethyl}cyclopentanamine
CID 50981187

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol?
The IUPAC name of 1-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol (CID 55038339) is 1-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol.
What is the SMILES notation for 1-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol?
The canonical SMILES for 1-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol is CC(NCC(O)CN1CCCC1)c1nncn1C.
What is the InChIKey of 1-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol?
The InChIKey is VAYMNNYAKLWWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O/c1-10(12-15-14-9-16(12)2)13-7-11(18)8-17-5-3-4-6-17/h9-11,13,18H,3-8H2,1-2H3.
What are the key properties of 1-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol?
1-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol has a molecular weight of 253.35 g/mol, XLogP of -0.08, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol is sourced from PubChem (CID 55038339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).