(1R)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-1-pyridin-4-ylethanamine

C14H21N5 — CID 81409705

IUPAC(1R)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-1-pyridin-4-ylethanamine
SMILESCC(C)Cn1ncnc1CN[C@H](C)c1ccncc1
InChIInChI=1S/C14H21N5/c1-11(2)9-19-14(17-10-18-19)8-16-12(3)13-4-6-15-7-5-13/h4-7,10-12,16H,8-9H2,1-3H3/t12-/m1/s1
InChIKeyQRWYHUFGKKKOHV-GFCCVEGCSA-N
MW259.36 g/mol
LogP2.18
Rot. Bonds6

About (1R)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-1-pyridin-4-ylethanamine

(1R)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-1-pyridin-4-ylethanamine (PubChem CID 81409705) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is (1R)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-1-pyridin-4-ylethanamine.

Molecular Properties

Compound Name(1R)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-1-pyridin-4-ylethanamine
PubChem CID81409705
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name(1R)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-1-pyridin-4-ylethanamine
SMILESCC(C)Cn1ncnc1CN[C@H](C)c1ccncc1
InChIInChI=1S/C14H21N5/c1-11(2)9-19-14(17-10-18-19)8-16-12(3)13-4-6-15-7-5-13/h4-7,10-12,16H,8-9H2,1-3H3/t12-/m1/s1
InChIKeyQRWYHUFGKKKOHV-GFCCVEGCSA-N
XLogP2.18
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-1-(4-chlorophenyl)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]ethanamine
CID 81353293
(1S)-1-(3-methoxyphenyl)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]ethanamine
CID 81354542
(1R)-1-(furan-2-yl)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]ethanamine
CID 81400665
(1R)-1-(2-chlorophenyl)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]ethanamine
CID 81378193
(2S)-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylamino]propanoic acid
CID 83195321
(1S)-N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-pyridin-4-ylethanamine
CID 81410114
1-pyridin-4-yl-N-(pyrimidin-4-ylmethyl)ethanamine
CID 62760038
4,4-dimethyl-3-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylamino]pentan-1-ol
CID 104627997
3-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylamino]-2-methylsulfanylbutan-1-ol
CID 106160760
1-pyridin-4-yl-N-(pyrimidin-5-ylmethyl)ethanamine
CID 62759133
N-ethyl-N-methyl-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylamino]propanamide
CID 103108669
2-chloro-4-methyl-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pentan-1-amine
CID 107155976

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-1-pyridin-4-ylethanamine?
The IUPAC name of (1R)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-1-pyridin-4-ylethanamine (CID 81409705) is (1R)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-1-pyridin-4-ylethanamine.
What is the SMILES notation for (1R)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-1-pyridin-4-ylethanamine?
The canonical SMILES for (1R)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-1-pyridin-4-ylethanamine is CC(C)Cn1ncnc1CN[C@H](C)c1ccncc1.
What is the InChIKey of (1R)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-1-pyridin-4-ylethanamine?
The InChIKey is QRWYHUFGKKKOHV-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H21N5/c1-11(2)9-19-14(17-10-18-19)8-16-12(3)13-4-6-15-7-5-13/h4-7,10-12,16H,8-9H2,1-3H3/t12-/m1/s1.
What are the key properties of (1R)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-1-pyridin-4-ylethanamine?
(1R)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-1-pyridin-4-ylethanamine has a molecular weight of 259.36 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-1-pyridin-4-ylethanamine is sourced from PubChem (CID 81409705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).