5-methyl-6-[(2S)-2-pyrrolidin-1-ylpropoxy]pyrrolo[2,1-f][1,2,4]triazin-4-amine

C14H21N5O — CID 164943142

IUPAC5-methyl-6-[(2S)-2-pyrrolidin-1-ylpropoxy]pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCc1c(OC[C@H](C)N2CCCC2)cn2ncnc(N)c12
InChIInChI=1S/C14H21N5O/c1-10(18-5-3-4-6-18)8-20-12-7-19-13(11(12)2)14(15)16-9-17-19/h7,9-10H,3-6,8H2,1-2H3,(H2,15,16,17)/t10-/m0/s1
InChIKeyHMTAOFUMQPVBMN-JTQLQIEISA-N
MW275.36 g/mol
LogP1.48
Rot. Bonds4

About 5-methyl-6-[(2S)-2-pyrrolidin-1-ylpropoxy]pyrrolo[2,1-f][1,2,4]triazin-4-amine

5-methyl-6-[(2S)-2-pyrrolidin-1-ylpropoxy]pyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 164943142) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 5-methyl-6-[(2S)-2-pyrrolidin-1-ylpropoxy]pyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name5-methyl-6-[(2S)-2-pyrrolidin-1-ylpropoxy]pyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID164943142
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name5-methyl-6-[(2S)-2-pyrrolidin-1-ylpropoxy]pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCc1c(OC[C@H](C)N2CCCC2)cn2ncnc(N)c12
InChIInChI=1S/C14H21N5O/c1-10(18-5-3-4-6-18)8-20-12-7-19-13(11(12)2)14(15)16-9-17-19/h7,9-10H,3-6,8H2,1-2H3,(H2,15,16,17)/t10-/m0/s1
InChIKeyHMTAOFUMQPVBMN-JTQLQIEISA-N
XLogP1.48
TPSA68.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-methyl-6-[(2S)-2-pyrrolidin-1-ylpropoxy]pyrrolo[2,1-f][1,2,4]triazin-4-amine with MolForge

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Related Compounds

5-bromo-6-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 163376472
5,6-dimethyl-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 178092801
6-(chloromethyl)-5-(7-methoxy-5-methyl-1-benzothiophen-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;hydrochloride
CID 118876203
(2R)-1-[4-[(2,4-dimethyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-ol
CID 58771724
4-N-(2-piperidin-1-ylpropyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80814271
6-(aminomethyl)-5-(7-methoxy-5-methyl-1-benzothiophen-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 126703794
4-N-(2-piperidin-1-ylpropyl)-5-propylpyrimidine-4,6-diamine
CID 80818981
6-bromo-5-chloropyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 166982820
7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 164876385
4,5-dimethoxy-2-N-(2-pyrrolidin-1-ylpropyl)benzene-1,2-diamine
CID 83007891
1-[(2R)-1-(2-benzylphenoxy)propan-2-yl]piperidine;phosphoric acid
CID 76969563
6-(2-aminoethoxymethyl)-5-(7-methoxy-5-methyl-1-benzothiophen-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 71599766

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-[(2S)-2-pyrrolidin-1-ylpropoxy]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 5-methyl-6-[(2S)-2-pyrrolidin-1-ylpropoxy]pyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 164943142) is 5-methyl-6-[(2S)-2-pyrrolidin-1-ylpropoxy]pyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 5-methyl-6-[(2S)-2-pyrrolidin-1-ylpropoxy]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 5-methyl-6-[(2S)-2-pyrrolidin-1-ylpropoxy]pyrrolo[2,1-f][1,2,4]triazin-4-amine is Cc1c(OC[C@H](C)N2CCCC2)cn2ncnc(N)c12.
What is the InChIKey of 5-methyl-6-[(2S)-2-pyrrolidin-1-ylpropoxy]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is HMTAOFUMQPVBMN-JTQLQIEISA-N. The full InChI is InChI=1S/C14H21N5O/c1-10(18-5-3-4-6-18)8-20-12-7-19-13(11(12)2)14(15)16-9-17-19/h7,9-10H,3-6,8H2,1-2H3,(H2,15,16,17)/t10-/m0/s1.
What are the key properties of 5-methyl-6-[(2S)-2-pyrrolidin-1-ylpropoxy]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
5-methyl-6-[(2S)-2-pyrrolidin-1-ylpropoxy]pyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 275.36 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-[(2S)-2-pyrrolidin-1-ylpropoxy]pyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 164943142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).