N-(2,3-dihydro-1H-inden-1-yl)-4-ethyl-N-methyl-5-(pyridin-3-ylmethyl)-1,2,4-triazol-3-amine

C20H23N5 — CID 154868704

IUPACN-(2,3-dihydro-1H-inden-1-yl)-4-ethyl-N-methyl-5-(pyridin-3-ylmethyl)-1,2,4-triazol-3-amine
SMILESCCn1c(Cc2cccnc2)nnc1N(C)C1CCc2ccccc21
InChIInChI=1S/C20H23N5/c1-3-25-19(13-15-7-6-12-21-14-15)22-23-20(25)24(2)18-11-10-16-8-4-5-9-17(16)18/h4-9,12,14,18H,3,10-11,13H2,1-2H3
InChIKeyWOXWRCDUKHCOQN-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.41
Rot. Bonds5

About N-(2,3-dihydro-1H-inden-1-yl)-4-ethyl-N-methyl-5-(pyridin-3-ylmethyl)-1,2,4-triazol-3-amine

N-(2,3-dihydro-1H-inden-1-yl)-4-ethyl-N-methyl-5-(pyridin-3-ylmethyl)-1,2,4-triazol-3-amine (PubChem CID 154868704) has the molecular formula C20H23N5 and a molecular weight of 333.44 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-1-yl)-4-ethyl-N-methyl-5-(pyridin-3-ylmethyl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-1-yl)-4-ethyl-N-methyl-5-(pyridin-3-ylmethyl)-1,2,4-triazol-3-amine
PubChem CID154868704
Molecular FormulaC20H23N5
Molecular Weight333.44 g/mol
Exact Mass333.20
IUPAC NameN-(2,3-dihydro-1H-inden-1-yl)-4-ethyl-N-methyl-5-(pyridin-3-ylmethyl)-1,2,4-triazol-3-amine
SMILESCCn1c(Cc2cccnc2)nnc1N(C)C1CCc2ccccc21
InChIInChI=1S/C20H23N5/c1-3-25-19(13-15-7-6-12-21-14-15)22-23-20(25)24(2)18-11-10-16-8-4-5-9-17(16)18/h4-9,12,14,18H,3,10-11,13H2,1-2H3
InChIKeyWOXWRCDUKHCOQN-UHFFFAOYSA-N
XLogP3.41
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 134793387
N-methyl-2-pyridin-3-yl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 96575672
6-chloro-N-(2,3-dihydro-1H-inden-1-yl)-N-methylpyrazin-2-amine
CID 133334138
1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine;dihydrochloride
CID 22037055
5-chloro-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methylpyrimidin-2-amine
CID 99813703
lithium (1R)-N-methyl-N-prop-2-enyl-2,3-dihydro-1H-inden-1-amine
CID 10511981
N-methyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 119929963
N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 47020638
1-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-3-pyrazol-1-ylpropan-2-ol
CID 56815110
1-(2,3-dihydro-1H-inden-1-yl)-3-(pyridin-3-ylmethyl)thiourea
CID 23738634
(2S)-1-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-3-pyrazol-1-ylpropan-2-ol
CID 124812147
N-[[5-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 126811695

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-4-ethyl-N-methyl-5-(pyridin-3-ylmethyl)-1,2,4-triazol-3-amine?
The IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-4-ethyl-N-methyl-5-(pyridin-3-ylmethyl)-1,2,4-triazol-3-amine (CID 154868704) is N-(2,3-dihydro-1H-inden-1-yl)-4-ethyl-N-methyl-5-(pyridin-3-ylmethyl)-1,2,4-triazol-3-amine.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-1-yl)-4-ethyl-N-methyl-5-(pyridin-3-ylmethyl)-1,2,4-triazol-3-amine?
The canonical SMILES for N-(2,3-dihydro-1H-inden-1-yl)-4-ethyl-N-methyl-5-(pyridin-3-ylmethyl)-1,2,4-triazol-3-amine is CCn1c(Cc2cccnc2)nnc1N(C)C1CCc2ccccc21.
What is the InChIKey of N-(2,3-dihydro-1H-inden-1-yl)-4-ethyl-N-methyl-5-(pyridin-3-ylmethyl)-1,2,4-triazol-3-amine?
The InChIKey is WOXWRCDUKHCOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5/c1-3-25-19(13-15-7-6-12-21-14-15)22-23-20(25)24(2)18-11-10-16-8-4-5-9-17(16)18/h4-9,12,14,18H,3,10-11,13H2,1-2H3.
What are the key properties of N-(2,3-dihydro-1H-inden-1-yl)-4-ethyl-N-methyl-5-(pyridin-3-ylmethyl)-1,2,4-triazol-3-amine?
N-(2,3-dihydro-1H-inden-1-yl)-4-ethyl-N-methyl-5-(pyridin-3-ylmethyl)-1,2,4-triazol-3-amine has a molecular weight of 333.44 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-1-yl)-4-ethyl-N-methyl-5-(pyridin-3-ylmethyl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 154868704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).